CID 15534

1-(2-chlorophenyl)propyl carbamate

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CCC(C1=CC=CC=C1Cl)OC(=O)N

InChI

InChI=1S/C10H12ClNO2/c1-2-9(14-10(12)13)7-5-3-4-6-8(7)11/h3-6,9H,2H2,1H3,(H2,12,13)

InChIKey

VCZXDPUECVELRF-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)propyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	214.06293	144.8
[M+Na]+	236.04487	152.4
[M-H]-	212.04837	148.0
[M+NH4]+	231.08947	163.9
[M+K]+	252.01881	149.2
[M+H-H2O]+	196.05291	139.7
[M+HCOO]-	258.05385	163.6
[M+CH3COO]-	272.06950	187.7
[M+Na-2H]-	234.03032	148.0
[M]+	213.05510	146.6
[M]-	213.05620	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe