CID 281515

3-(2-hydroxyethyl)piperidin-2-one

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CC(C(=O)NC1)CCO
InChI
InChI=1S/C7H13NO2/c9-5-3-6-2-1-4-8-7(6)10/h6,9H,1-5H2,(H,8,10)
InChIKey
KXEFHGQHMLWLJC-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 131.2
[M+Na]+ 166.08386 136.7
[M-H]- 142.08736 130.0
[M+NH4]+ 161.12846 149.9
[M+K]+ 182.05780 134.5
[M+H-H2O]+ 126.09190 125.5
[M+HCOO]- 188.09284 148.4
[M+CH3COO]- 202.10849 168.0
[M+Na-2H]- 164.06931 135.8
[M]+ 143.09409 125.4
[M]- 143.09519 125.4
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