CID 11217768

Benzyl (2-oxoethyl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

C1=CC=C(C=C1)COC(=O)NCC=O

InChI

InChI=1S/C10H11NO3/c12-7-6-11-10(13)14-8-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,11,13)

InChIKey

QSNONXQMKXTNQH-UHFFFAOYSA-N

Compound name

benzyl N-(2-oxoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 380
Patents: 193.0739 Da
Monoisotopic Mass: 1.2
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]+	194.08118	141.5
[M+Na]+	216.06312	152.4
[M+NH4]+	211.10772	148.7
[M+K]+	232.03706	146.6
[M-H]-	192.06662	142.9
[M+Na-2H]-	214.04857	147.7
[M]+	193.07335	143.1
[M]-	193.07445	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe