CID 18187989

Benzyl 2-(4-oxopiperidin-1-yl)acetate

Structural Information

Molecular Formula
C14H17NO3
SMILES
C1CN(CCC1=O)CC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H17NO3/c16-13-6-8-15(9-7-13)10-14(17)18-11-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKey
NZJNMGYKSKNROE-UHFFFAOYSA-N
Compound name
benzyl 2-(4-oxopiperidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

247.12085 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 156.2
[M+Na]+ 270.11007 160.8
[M-H]- 246.11357 160.4
[M+NH4]+ 265.15467 171.4
[M+K]+ 286.08401 158.3
[M+H-H2O]+ 230.11811 147.7
[M+HCOO]- 292.11905 174.9
[M+CH3COO]- 306.13470 191.5
[M+Na-2H]- 268.09552 159.4
[M]+ 247.12030 154.0
[M]- 247.12140 154.0
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