CID 24685

Propham

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC(C)OC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)

InChIKey

VXPLXMJHHKHSOA-UHFFFAOYSA-N

Compound name

propan-2-yl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 27
References: 20665
Patents: 179.09464 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]+	180.10192	139.1
[M+Na]+	202.08386	145.1
[M-H]-	178.08736	142.7
[M+NH4]+	197.12846	158.7
[M+K]+	218.05780	144.3
[M+H-H2O]+	162.09190	132.9
[M+HCOO]-	224.09284	163.1
[M+CH3COO]-	238.10849	182.7
[M+Na-2H]-	200.06931	144.5
[M]+	179.09409	139.4
[M]-	179.09519	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe