CID 12477725

1-(2-hydroxyethyl)piperidin-2-one

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CCN(C(=O)C1)CCO
InChI
InChI=1S/C7H13NO2/c9-6-5-8-4-2-1-3-7(8)10/h9H,1-6H2
InChIKey
LMVCQONNFMKDRF-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

143.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 130.3
[M+Na]+ 166.08386 136.2
[M-H]- 142.08736 130.6
[M+NH4]+ 161.12846 149.7
[M+K]+ 182.05780 135.0
[M+H-H2O]+ 126.09190 124.4
[M+HCOO]- 188.09284 149.0
[M+CH3COO]- 202.10849 170.6
[M+Na-2H]- 164.06931 135.4
[M]+ 143.09409 126.4
[M]- 143.09519 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe