CID 267829

2-chloroethyl p-tolylcarbamate

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CC1=CC=C(C=C1)NC(=O)OCCCl

InChI

InChI=1S/C10H12ClNO2/c1-8-2-4-9(5-3-8)12-10(13)14-7-6-11/h2-5H,6-7H2,1H3,(H,12,13)

InChIKey

AUDBFZQXUVRMDA-UHFFFAOYSA-N

Compound name

2-chloroethyl N-(4-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 213.05565 Da
Monoisotopic Mass: 2.9
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]+	214.06293	144.0
[M+Na]+	236.04487	156.5
[M+NH4]+	231.08947	152.3
[M+K]+	252.01881	149.7
[M-H]-	212.04837	146.2
[M+Na-2H]-	234.03032	150.7
[M]+	213.05510	146.6
[M]-	213.05620	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe