CID 562279

Benzyl allylcarbamate

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

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

InChI

InChI=1S/C11H13NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,12,13)

InChIKey

OSLGKRDOEMLAJV-UHFFFAOYSA-N

Compound name

benzyl N-prop-2-enylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 319
Patents: 191.09464 Da
Monoisotopic Mass: 2.3
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]+	192.10192	143.0
[M+Na]+	214.08386	154.1
[M+NH4]+	209.12846	150.6
[M+K]+	230.05780	147.6
[M-H]-	190.08736	144.8
[M+Na-2H]-	212.06931	149.4
[M]+	191.09409	144.8
[M]-	191.09519	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe