CID 21840017

4-(hydroxymethyl)piperidin-2-one

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1CNC(=O)CC1CO
InChI
InChI=1S/C6H11NO2/c8-4-5-1-2-7-6(9)3-5/h5,8H,1-4H2,(H,7,9)
InChIKey
DTSWKQMYYTZZMS-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
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

No literature data available for this compound.

Patent stripe

patents stripe