PubChemLite - 73353-26-1 (C17H19F19N2O)

Structural Information

Molecular Formula

SMILES

CN(C)CCCNCC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C17H19F19N2O/c1-38(2)5-3-4-37-7-8(39)6-9(18,19)11(21,22)13(25,26)15(29,30)14(27,28)12(23,24)10(20,16(31,32)33)17(34,35)36/h8,37,39H,3-7H2,1-2H3

InChIKey

GCGAKPKICKLLED-UHFFFAOYSA-N

Compound name

1-[3-(dimethylamino)propylamino]-4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecan-2-ol

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]+	629.12668	198.0
[M+Na]+	651.10862	204.4
[M-H]-	627.11212	209.1
[M+NH4]+	646.15322	208.3
[M+K]+	667.08256	215.1
[M+H-H2O]+	611.11666	185.4
[M+HCOO]-	673.11760	209.6
[M+CH3COO]-	687.13325	262.8
[M+Na-2H]-	649.09407	195.6
[M]+	628.11885	192.3
[M]-	628.11995	192.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

629.12668

198.0

[M+Na]+

651.10862

204.4

[M-H]-

627.11212

209.1

[M+NH4]+

646.15322

208.3

[M+K]+

667.08256

215.1

[M+H-H2O]+

611.11666

185.4

[M+HCOO]-

673.11760

209.6

[M+CH3COO]-

687.13325

262.8

[M+Na-2H]-

649.09407

195.6

[M]+

628.11885

192.3

[M]-

628.11995

192.3

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

73353-26-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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