CID 3577954

2-chloroethyl n-(2-ethyl-6-methylphenyl)carbamate

Structural Information

Molecular Formula

C₁₂H₁₆ClNO₂

SMILES

CCC1=CC=CC(=C1NC(=O)OCCCl)C

InChI

InChI=1S/C12H16ClNO2/c1-3-10-6-4-5-9(2)11(10)14-12(15)16-8-7-13/h4-6H,3,7-8H2,1-2H3,(H,14,15)

InChIKey

XCKVOYVARLDVPI-UHFFFAOYSA-N

Compound name

2-chloroethyl N-(2-ethyl-6-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.08696 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]+	242.094236	153.3
[M+Na]+	264.076178	161.4
[M-H]-	240.079684	157.0
[M+NH4]+	259.120783	172.1
[M+K]+	280.050118	157.6
[M+H-H2O]+	224.084220	148.0
[M+HCOO]-	286.085161	173.1
[M+CH3COO]-	300.100811	194.0
[M+Na-2H]-	262.061626	157.1
[M]+	241.08641142	157.8
[M]-	241.08750858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.