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

36
Patents

129.07898 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 125.3
[M+Na]+ 152.06820 132.6
[M-H]- 128.07170 126.1
[M+NH4]+ 147.11280 145.6
[M+K]+ 168.04214 131.6
[M+H-H2O]+ 112.07624 119.9
[M+HCOO]- 174.07718 144.3
[M+CH3COO]- 188.09283 168.7
[M+Na-2H]- 150.05365 130.3
[M]+ 129.07843 121.4
[M]- 129.07953 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