CID 4143722

56961-12-7

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

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

InChI

InChI=1S/C11H14ClNO2/c1-8-3-4-9(2)10(7-8)13-11(14)15-6-5-12/h3-4,7H,5-6H2,1-2H3,(H,13,14)

InChIKey

SWEUILAIGJXZBV-UHFFFAOYSA-N

Compound name

2-chloroethyl N-(2,5-dimethylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.0713 Da
Monoisotopic Mass: 2.5
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]+	228.078576	148.6
[M+Na]+	250.060518	157.1
[M-H]-	226.064024	152.5
[M+NH4]+	245.105123	167.9
[M+K]+	266.034458	153.6
[M+H-H2O]+	210.068560	143.5
[M+HCOO]-	272.069501	168.7
[M+CH3COO]-	286.085151	191.0
[M+Na-2H]-	248.045966	152.9
[M]+	227.07075142	152.7
[M]-	227.07184858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.