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

5
Patents

129.07898 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 121.7
[M+Na]+ 152.06820 125.6
[M-H]- 128.07170 122.0
[M+NH4]+ 147.11280 139.5
[M+K]+ 168.04214 128.3
[M+H-H2O]+ 112.07624 116.3
[M+HCOO]- 174.07718 138.6
[M+CH3COO]- 188.09283 167.8
[M+Na-2H]- 150.05365 126.6
[M]+ 129.07843 112.7
[M]- 129.07953 112.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe