CID 6143

M-cumenyl methylcarbamate

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

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

InChI

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

InChIKey

GYKXQTKSWLAUIT-UHFFFAOYSA-N

Compound name

(3-propan-2-ylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 2
References: 1664
Patents: 193.11028 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]+	194.117556	143.2
[M+Na]+	216.099498	149.7
[M-H]-	192.103004	146.9
[M+NH4]+	211.144103	162.6
[M+K]+	232.073438	148.7
[M+H-H2O]+	176.107540	137.0
[M+HCOO]-	238.108481	166.8
[M+CH3COO]-	252.124131	186.9
[M+Na-2H]-	214.084946	147.4
[M]+	193.10973142	144.2
[M]-	193.11082858	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe