CID 107296

35739-00-5

Structural Information

Molecular Formula
C12H11NO5
SMILES
C1C(C(=O)OC1=O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H11NO5/c14-10-6-9(11(15)18-10)13-12(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)
InChIKey
OZPYEGOBGWQOSZ-UHFFFAOYSA-N
Compound name
benzyl N-(2,5-dioxooxolan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

249.06372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07100 151.4
[M+Na]+ 272.05294 158.0
[M-H]- 248.05644 158.9
[M+NH4]+ 267.09754 168.4
[M+K]+ 288.02688 157.6
[M+H-H2O]+ 232.06098 144.7
[M+HCOO]- 294.06192 175.1
[M+CH3COO]- 308.07757 191.5
[M+Na-2H]- 270.03839 155.1
[M]+ 249.06317 152.7
[M]- 249.06427 152.7
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