CID 82502

Valeramide, n-hexyl-

Structural Information

Molecular Formula

C₁₁H₂₃NO

SMILES

CCCCCCNC(=O)CCCC

InChI

InChI=1S/C11H23NO/c1-3-5-7-8-10-12-11(13)9-6-4-2/h3-10H2,1-2H3,(H,12,13)

InChIKey

HYTMILDAGQOHDF-UHFFFAOYSA-N

Compound name

N-hexylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 185.17796 Da
Monoisotopic Mass: 3.2
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]+	186.185236	148.4
[M+Na]+	208.167178	152.8
[M-H]-	184.170684	147.8
[M+NH4]+	203.211783	168.1
[M+K]+	224.141118	151.5
[M+H-H2O]+	168.175220	142.6
[M+HCOO]-	230.176161	171.0
[M+CH3COO]-	244.191811	188.4
[M+Na-2H]-	206.152626	151.7
[M]+	185.17741142	150.7
[M]-	185.17850858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe