CID 3049494

N-pentylheptanamide

Structural Information

Molecular Formula

C₁₂H₂₅NO

SMILES

CCCCCCC(=O)NCCCCC

InChI

InChI=1S/C12H25NO/c1-3-5-7-8-10-12(14)13-11-9-6-4-2/h3-11H2,1-2H3,(H,13,14)

InChIKey

GUDYPJBECYDZAH-UHFFFAOYSA-N

Compound name

N-pentylheptanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 199.19362 Da
Monoisotopic Mass: 3.8
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]+	200.20090	151.5
[M+Na]+	222.18284	159.8
[M+NH4]+	217.22744	158.4
[M+K]+	238.15678	153.0
[M-H]-	198.18634	151.2
[M+Na-2H]-	220.16829	153.8
[M]+	199.19307	152.3
[M]-	199.19417	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe