CID 22747857

Benzyl (2-oxopropyl)carbamate

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(=O)CNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C11H13NO3/c1-9(13)7-12-11(14)15-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)
InChIKey
GVRXLHLFAABVLJ-UHFFFAOYSA-N
Compound name
benzyl N-(2-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

207.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 145.4
[M+Na]+ 230.07876 151.1
[M-H]- 206.08226 148.7
[M+NH4]+ 225.12336 163.7
[M+K]+ 246.05270 150.0
[M+H-H2O]+ 190.08680 138.7
[M+HCOO]- 252.08774 169.4
[M+CH3COO]- 266.10339 186.9
[M+Na-2H]- 228.06421 150.3
[M]+ 207.08899 146.7
[M]- 207.09009 146.7
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