CID 16719427

3-(hydroxymethyl)-1-methylpiperidin-2-one

Structural Information

Molecular Formula
C7H13NO2
SMILES
CN1CCCC(C1=O)CO
InChI
InChI=1S/C7H13NO2/c1-8-4-2-3-6(5-9)7(8)10/h6,9H,2-5H2,1H3
InChIKey
YWINIVAYENZCJR-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-1-methylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.09464 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 129.9
[M+Na]+ 166.08386 136.7
[M-H]- 142.08736 130.5
[M+NH4]+ 161.12846 149.6
[M+K]+ 182.05780 135.5
[M+H-H2O]+ 126.09190 124.3
[M+HCOO]- 188.09284 148.6
[M+CH3COO]- 202.10849 171.8
[M+Na-2H]- 164.06931 134.3
[M]+ 143.09409 126.3
[M]- 143.09519 126.3
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