CID 17592

3,4,5-trimethacarb

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC1=CC(=CC(=C1C)C)OC(=O)NC

InChI

InChI=1S/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13)

InChIKey

AUQAUAIUNJIIEP-UHFFFAOYSA-N

Compound name

(3,4,5-trimethylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 14814
Patents: 193.11028 Da
Monoisotopic Mass: 2.7
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	142.7
[M+Na]+	216.09950	154.9
[M+NH4]+	211.14410	150.6
[M+K]+	232.07344	149.1
[M-H]-	192.10300	145.0
[M+Na-2H]-	214.08495	148.6
[M]+	193.10973	145.0
[M]-	193.11083	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe