CID 9414

Mexacarbate

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC

InChI

InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)

InChIKey

YNEVBPNZHBAYOA-UHFFFAOYSA-N

Compound name

[4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 8
References: 6533
Patents: 222.13683 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]+	223.144106	150.7
[M+Na]+	245.126048	158.2
[M-H]-	221.129554	156.4
[M+NH4]+	240.170653	169.9
[M+K]+	261.099988	158.0
[M+H-H2O]+	205.134090	144.1
[M+HCOO]-	267.135031	176.5
[M+CH3COO]-	281.150681	199.9
[M+Na-2H]-	243.111496	153.8
[M]+	222.13628142	154.0
[M]-	222.13737858	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe