CID 83172

13139-17-8

Structural Information

Molecular Formula
C12H11NO5
SMILES
C1CC(=O)N(C1=O)OC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H11NO5/c14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
MJSHDCCLFGOEIK-UHFFFAOYSA-N
Compound name
benzyl (2,5-dioxopyrrolidin-1-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7716
Patents

249.06372 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07100 151.3
[M+Na]+ 272.05294 158.7
[M-H]- 248.05644 156.8
[M+NH4]+ 267.09754 168.5
[M+K]+ 288.02688 157.3
[M+H-H2O]+ 232.06098 143.9
[M+HCOO]- 294.06192 173.6
[M+CH3COO]- 308.07757 188.9
[M+Na-2H]- 270.03839 153.6
[M]+ 249.06317 153.1
[M]- 249.06427 153.1
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.