PubChemLite - N-[3-(dimethylamino)propyl]-perfluorodecanamide (C15H13F19N2O)

Structural Information

Molecular Formula

SMILES

CN(C)CCCNC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C15H13F19N2O/c1-36(2)5-3-4-35-6(37)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)34/h3-5H2,1-2H3,(H,35,37)

InChIKey

JWHQEYMLFOXGFH-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	599.07973	191.5
[M+Na]+	621.06167	199.5
[M-H]-	597.06517	204.1
[M+NH4]+	616.10627	203.9
[M+K]+	637.03561	209.2
[M+H-H2O]+	581.06971	180.1
[M+HCOO]-	643.07065	205.6
[M+CH3COO]-	657.08630	259.3
[M+Na-2H]-	619.04712	190.8
[M]+	598.07190	186.9
[M]-	598.07300	186.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

599.07973

191.5

[M+Na]+

621.06167

199.5

[M-H]-

597.06517

204.1

[M+NH4]+

616.10627

203.9

[M+K]+

637.03561

209.2

[M+H-H2O]+

581.06971

180.1

[M+HCOO]-

643.07065

205.6

[M+CH3COO]-

657.08630

259.3

[M+Na-2H]-

619.04712

190.8

[M]+

598.07190

186.9

[M]-

598.07300

186.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-[3-(dimethylamino)propyl]-perfluorodecanamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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