CID 18691

N-methylpropham

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

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

InChI

InChI=1S/C11H15NO2/c1-9(2)14-11(13)12(3)10-7-5-4-6-8-10/h4-9H,1-3H3

InChIKey

OGQJEQNWJVFSGO-UHFFFAOYSA-N

Compound name

propan-2-yl N-methyl-N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 193.11028 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]+	194.117556	143.4
[M+Na]+	216.099498	149.1
[M-H]-	192.103004	148.3
[M+NH4]+	211.144103	163.1
[M+K]+	232.073438	149.5
[M+H-H2O]+	176.107540	136.8
[M+HCOO]-	238.108481	167.6
[M+CH3COO]-	252.124131	189.3
[M+Na-2H]-	214.084946	147.6
[M]+	193.10973142	145.3
[M]-	193.11082858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe