CID 14609266

5-hydroxyazepan-2-one

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1CC(=O)NCCC1O

InChI

InChI=1S/C6H11NO2/c8-5-1-2-6(9)7-4-3-5/h5,8H,1-4H2,(H,7,9)

InChIKey

XBDAMCICMBRGSN-UHFFFAOYSA-N

Compound name

5-hydroxyazepan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 129.07898 Da
Monoisotopic Mass: -0.7
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]+	130.08626	122.9
[M+Na]+	152.06820	130.9
[M+NH4]+	147.11280	129.7
[M+K]+	168.04214	128.2
[M-H]-	128.07170	122.5
[M+Na-2H]-	150.05365	127.0
[M]+	129.07843	123.6
[M]-	129.07953	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe