CID 15386079

5-(hydroxymethyl)piperidin-2-one

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1CC(=O)NCC1CO
InChI
InChI=1S/C6H11NO2/c8-4-5-1-2-6(9)7-3-5/h5,8H,1-4H2,(H,7,9)
InChIKey
ASQVPLMNHXQYMU-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

129.07898 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 126.7
[M+Na]+ 152.06820 132.6
[M-H]- 128.07170 125.7
[M+NH4]+ 147.11280 146.0
[M+K]+ 168.04214 130.7
[M+H-H2O]+ 112.07624 121.3
[M+HCOO]- 174.07718 144.2
[M+CH3COO]- 188.09283 165.0
[M+Na-2H]- 150.05365 131.8
[M]+ 129.07843 120.5
[M]- 129.07953 120.5
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