CID 40203

52030-04-3

Structural Information

Molecular Formula

C₁₁H₂₃NO

SMILES

CCCC(CCC)C(C)NC(=O)C

InChI

InChI=1S/C11H23NO/c1-5-7-11(8-6-2)9(3)12-10(4)13/h9,11H,5-8H2,1-4H3,(H,12,13)

InChIKey

JZCHJJOTIZFWJJ-UHFFFAOYSA-N

Compound name

N-(3-propylhexan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 185.17796 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

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]+	186.18524	149.4
[M+Na]+	208.16718	153.4
[M-H]-	184.17068	149.0
[M+NH4]+	203.21178	169.0
[M+K]+	224.14112	153.1
[M+H-H2O]+	168.17522	143.8
[M+HCOO]-	230.17616	170.0
[M+CH3COO]-	244.19181	190.1
[M+Na-2H]-	206.15263	150.1
[M]+	185.17741	150.4
[M]-	185.17851	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe