CID 301122

Benzyl n-(2-oxooxolan-3-yl)carbamate

Structural Information

Molecular Formula
C12H13NO4
SMILES
C1COC(=O)C1NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H13NO4/c14-11-10(6-7-16-11)13-12(15)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)
InChIKey
FKWDZIFOVOUDAG-UHFFFAOYSA-N
Compound name
benzyl N-(2-oxooxolan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

25
Patents

235.08446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 150.3
[M+Na]+ 258.07368 155.9
[M-H]- 234.07718 157.4
[M+NH4]+ 253.11828 167.7
[M+K]+ 274.04762 155.4
[M+H-H2O]+ 218.08172 143.4
[M+HCOO]- 280.08266 173.6
[M+CH3COO]- 294.09831 188.8
[M+Na-2H]- 256.05913 154.5
[M]+ 235.08391 150.4
[M]- 235.08501 150.4
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