CID 9931459

2-piperidinone, 1-hydroxy-

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CCN(C(=O)C1)O
InChI
InChI=1S/C5H9NO2/c7-5-3-1-2-4-6(5)8/h8H,1-4H2
InChIKey
UPZBLXREZJIOHJ-UHFFFAOYSA-N
Compound name
1-hydroxypiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

111
Patents

115.06333 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.2
[M+Na]+ 138.052548 128.0
[M-H]- 114.056054 121.8
[M+NH4]+ 133.097153 141.7
[M+K]+ 154.026488 127.2
[M+H-H2O]+ 98.060590 115.7
[M+HCOO]- 160.061531 140.6
[M+CH3COO]- 174.077181 164.5
[M+Na-2H]- 136.037996 127.4
[M]+ 115.06278142 116.6
[M]- 115.06387858 116.6
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