CID 12010768

Benzyl n-methyl-n-(2-oxoethyl)carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

271
Patents

207.08954 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 144.8
[M+Na]+ 230.078758 151.0
[M-H]- 206.082264 149.6
[M+NH4]+ 225.123363 163.9
[M+K]+ 246.052698 150.8
[M+H-H2O]+ 190.086800 138.0
[M+HCOO]- 252.087741 170.4
[M+CH3COO]- 266.103391 189.5
[M+Na-2H]- 228.064206 150.3
[M]+ 207.08899142 148.1
[M]- 207.09008858 148.1
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