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

117
Patents

129.07898 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 126.7
[M+Na]+ 152.068198 132.6
[M-H]- 128.071704 125.7
[M+NH4]+ 147.112803 146.0
[M+K]+ 168.042138 130.7
[M+H-H2O]+ 112.076240 121.3
[M+HCOO]- 174.077181 144.2
[M+CH3COO]- 188.092831 165.0
[M+Na-2H]- 150.053646 131.8
[M]+ 129.07843142 120.5
[M]- 129.07952858 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