CID 6001964

2-butenyl n-phenylcarbamate

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C/C=C/COC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C11H13NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h2-8H,9H2,1H3,(H,12,13)/b3-2+

InChIKey

XSKLUNLMKNMXFF-NSCUHMNNSA-N

Compound name

[(E)-but-2-enyl] N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.09464 Da
Monoisotopic Mass: 2.4
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]+	192.101916	142.2
[M+Na]+	214.083858	148.4
[M-H]-	190.087364	145.6
[M+NH4]+	209.128463	161.4
[M+K]+	230.057798	146.3
[M+H-H2O]+	174.091900	135.8
[M+HCOO]-	236.092841	167.1
[M+CH3COO]-	250.108491	183.3
[M+Na-2H]-	212.069306	148.4
[M]+	191.09409142	142.7
[M]-	191.09518858	142.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.