CID 23730

7305-06-8

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC1=CC=CC=C1OC(=O)N(C)C

InChI

InChI=1S/C10H13NO2/c1-8-6-4-5-7-9(8)13-10(12)11(2)3/h4-7H,1-3H3

InChIKey

QKAVMOJYJHTFPY-UHFFFAOYSA-N

Compound name

(2-methylphenyl) N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 179.09464 Da
Monoisotopic Mass: 1.9
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]+	180.101916	137.7
[M+Na]+	202.083858	145.1
[M-H]-	178.087364	143.1
[M+NH4]+	197.128463	158.4
[M+K]+	218.057798	145.3
[M+H-H2O]+	162.091900	131.5
[M+HCOO]-	224.092841	163.2
[M+CH3COO]-	238.108491	186.5
[M+Na-2H]-	200.069306	143.0
[M]+	179.09409142	140.3
[M]-	179.09518858	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe