CID 78005

N-hydroxyhexanamide

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCCCCC(=O)NO

InChI

InChI=1S/C6H13NO2/c1-2-3-4-5-6(8)7-9/h9H,2-5H2,1H3,(H,7,8)

InChIKey

FWPKDESKJMMUSR-UHFFFAOYSA-N

Compound name

N-hydroxyhexanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 581
Patents: 131.09464 Da
Monoisotopic Mass: 1.0
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]+	132.101916	128.9
[M+Na]+	154.083858	134.9
[M-H]-	130.087364	127.8
[M+NH4]+	149.128463	150.0
[M+K]+	170.057798	134.5
[M+H-H2O]+	114.091900	124.1
[M+HCOO]-	176.092841	151.9
[M+CH3COO]-	190.108491	172.5
[M+Na-2H]-	152.069306	134.3
[M]+	131.09409142	128.9
[M]-	131.09518858	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe