CID 125455870

Benzyl 3,4-dioxopiperidine-1-carboxylate

Structural Information

Molecular Formula
C13H13NO4
SMILES
C1CN(CC(=O)C1=O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H13NO4/c15-11-6-7-14(8-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
KURHNLXSYOTDJF-UHFFFAOYSA-N
Compound name
benzyl 3,4-dioxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08446 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 152.9
[M+Na]+ 270.07368 159.2
[M-H]- 246.07718 157.8
[M+NH4]+ 265.11828 168.4
[M+K]+ 286.04762 157.0
[M+H-H2O]+ 230.08172 144.9
[M+HCOO]- 292.08266 172.5
[M+CH3COO]- 306.09831 190.3
[M+Na-2H]- 268.05913 156.2
[M]+ 247.08391 151.5
[M]- 247.08501 151.5
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

No patent data available for this compound.