CID 12010768

107201-33-2

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: 255
Patents: 207.08954 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.09682	145.4
[M+Na]+	230.07876	156.3
[M+NH4]+	225.12336	152.7
[M+K]+	246.05270	150.8
[M-H]-	206.08226	147.1
[M+Na-2H]-	228.06421	151.7
[M]+	207.08899	147.2
[M]-	207.09009	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe