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

7
Annotation Hits: 8
References: 5912
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]+	223.14411	151.5
[M+Na]+	245.12605	162.4
[M+NH4]+	240.17065	158.9
[M+K]+	261.09999	157.2
[M-H]-	221.12955	154.2
[M+Na-2H]-	243.11150	156.9
[M]+	222.13628	153.6
[M]-	222.13738	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe