CID 17563

3,5-xylyl methylcarbamate

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC1=CC(=CC(=C1)OC(=O)NC)C

InChI

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

InChIKey

CVQODEWAPZVVBU-UHFFFAOYSA-N

Compound name

(3,5-dimethylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 4
References: 5320
Patents: 179.09464 Da
Monoisotopic Mass: 2.2
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]+	180.10192	137.6
[M+Na]+	202.08386	145.7
[M-H]-	178.08736	141.9
[M+NH4]+	197.12846	158.0
[M+K]+	218.05780	144.5
[M+H-H2O]+	162.09190	131.8
[M+HCOO]-	224.09284	162.6
[M+CH3COO]-	238.10849	184.1
[M+Na-2H]-	200.06931	142.9
[M]+	179.09409	139.3
[M]-	179.09519	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe