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

6
Annotation Hits: 2
References: 1749
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]+	194.11756	143.4
[M+Na]+	216.09950	154.6
[M+NH4]+	211.14410	151.2
[M+K]+	232.07344	149.1
[M-H]-	192.10300	145.4
[M+Na-2H]-	214.08495	149.4
[M]+	193.10973	145.4
[M]-	193.11083	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe