CID 75765

4-chloro-m-tolyl methylcarbamate

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CC1=C(C=CC(=C1)OC(=O)NC)Cl

InChI

InChI=1S/C9H10ClNO2/c1-6-5-7(3-4-8(6)10)13-9(12)11-2/h3-5H,1-2H3,(H,11,12)

InChIKey

CWOGPWIJFSPUMU-UHFFFAOYSA-N

Compound name

(4-chloro-3-methylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 199.04001 Da
Monoisotopic Mass: 2.6
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]+	200.047286	139.2
[M+Na]+	222.029228	148.5
[M-H]-	198.032734	143.4
[M+NH4]+	217.073833	159.6
[M+K]+	238.003168	145.5
[M+H-H2O]+	182.037270	134.5
[M+HCOO]-	244.038211	160.0
[M+CH3COO]-	258.053861	184.9
[M+Na-2H]-	220.014676	144.6
[M]+	199.03946142	142.6
[M]-	199.04055858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe