CID 232121

25209-82-9

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

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

InChI

InChI=1S/C11H13NO2/c1-9(2)8-14-11(13)12-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,12,13)

InChIKey

VBUSKHJRFLMAMW-UHFFFAOYSA-N

Compound name

2-methylprop-2-enyl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.09464 Da
Monoisotopic Mass: 2.8
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	142.4
[M+Na]+	214.08386	148.3
[M-H]-	190.08736	145.8
[M+NH4]+	209.12846	161.5
[M+K]+	230.05780	146.6
[M+H-H2O]+	174.09190	136.1
[M+HCOO]-	236.09284	166.3
[M+CH3COO]-	250.10849	184.8
[M+Na-2H]-	212.06931	147.3
[M]+	191.09409	142.3
[M]-	191.09519	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe