CID 14456894

3-hydroxy-1-methylpiperidin-2-one

Structural Information

Molecular Formula
C6H11NO2
SMILES
CN1CCCC(C1=O)O
InChI
InChI=1S/C6H11NO2/c1-7-4-2-3-5(8)6(7)9/h5,8H,2-4H2,1H3
InChIKey
PESIJJGWDALPCW-UHFFFAOYSA-N
Compound name
3-hydroxy-1-methylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

129.07898 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 125.3
[M+Na]+ 152.068198 132.6
[M-H]- 128.071704 126.1
[M+NH4]+ 147.112803 145.6
[M+K]+ 168.042138 131.6
[M+H-H2O]+ 112.076240 119.9
[M+HCOO]- 174.077181 144.3
[M+CH3COO]- 188.092831 168.7
[M+Na-2H]- 150.053646 130.3
[M]+ 129.07843142 121.4
[M]- 129.07952858 121.4
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