CID 44426107

Chembl376128

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

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

InChI

InChI=1S/C12H15NO/c1-10-6-4-5-7-12(10)8-9-13(3)11(2)14/h4-9H,1-3H3/b9-8+

InChIKey

BUXWOAHEVDUYRN-CMDGGOBGSA-N

Compound name

N-methyl-N-[(E)-2-(2-methylphenyl)ethenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 189.11537 Da
Monoisotopic Mass: 2.1
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]+	190.12265	142.4
[M+Na]+	212.10459	149.3
[M-H]-	188.10809	147.5
[M+NH4]+	207.14919	162.7
[M+K]+	228.07853	147.8
[M+H-H2O]+	172.11263	136.2
[M+HCOO]-	234.11357	167.2
[M+CH3COO]-	248.12922	189.6
[M+Na-2H]-	210.09004	146.7
[M]+	189.11482	143.6
[M]-	189.11592	143.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.