CID 10931982

Benzyl n-ethenylcarbamate

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C=CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C10H11NO2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)

InChIKey

YGBQZFPEMRCQRY-UHFFFAOYSA-N

Compound name

benzyl N-ethenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 71
References: 227
Patents: 177.07898 Da
Monoisotopic Mass: 2.2
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]+	178.086256	137.3
[M+Na]+	200.068198	143.9
[M-H]-	176.071704	140.8
[M+NH4]+	195.112803	157.0
[M+K]+	216.042138	141.9
[M+H-H2O]+	160.076240	131.1
[M+HCOO]-	222.077181	162.5
[M+CH3COO]-	236.092831	180.9
[M+Na-2H]-	198.053646	144.1
[M]+	177.07843142	137.5
[M]-	177.07952858	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe