CID 21679969

(3-methylphenyl)methyl n,n-dimethylcarbamate

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC1=CC(=CC=C1)COC(=O)N(C)C

InChI

InChI=1S/C11H15NO2/c1-9-5-4-6-10(7-9)8-14-11(13)12(2)3/h4-7H,8H2,1-3H3

InChIKey

IRXUAVIHPKYIFP-UHFFFAOYSA-N

Compound name

(3-methylphenyl)methyl N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	142.5
[M+Na]+	216.099498	149.4
[M-H]-	192.103004	147.7
[M+NH4]+	211.144103	162.6
[M+K]+	232.073438	149.4
[M+H-H2O]+	176.107540	136.1
[M+HCOO]-	238.108481	167.7
[M+CH3COO]-	252.124131	189.5
[M+Na-2H]-	214.084946	147.3
[M]+	193.10973142	145.4
[M]-	193.11082858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe