CID 11251988

4-hydroxy-2-piperidinone

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CNC(=O)CC1O
InChI
InChI=1S/C5H9NO2/c7-4-1-2-6-5(8)3-4/h4,7H,1-3H2,(H,6,8)
InChIKey
PRCAKTIAKXMBQF-UHFFFAOYSA-N
Compound name
4-hydroxypiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

321
Patents

115.06333 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 122.2
[M+Na]+ 138.052548 128.6
[M-H]- 114.056054 121.4
[M+NH4]+ 133.097153 142.0
[M+K]+ 154.026488 126.8
[M+H-H2O]+ 98.060590 117.0
[M+HCOO]- 160.061531 140.0
[M+CH3COO]- 174.077181 161.9
[M+Na-2H]- 136.037996 127.8
[M]+ 115.06278142 115.7
[M]- 115.06387858 115.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe