CID 12839

712-91-4

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CC(CC1=CC=CC=C1Cl)OC(=O)N

InChI

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

InChIKey

JHZISMYMEAAHJP-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)propan-2-yl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 213.05565 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]+	214.062926	144.8
[M+Na]+	236.044868	152.4
[M-H]-	212.048374	148.0
[M+NH4]+	231.089473	163.9
[M+K]+	252.018808	149.2
[M+H-H2O]+	196.052910	139.7
[M+HCOO]-	258.053851	163.6
[M+CH3COO]-	272.069501	187.7
[M+Na-2H]-	234.030316	148.0
[M]+	213.05510142	146.6
[M]-	213.05619858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe