CID 4181653

N-ethyl-meta-methacrylotoluidide

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CCN(C1=CC=CC(=C1)C)C(=O)C(=C)C

InChI

InChI=1S/C13H17NO/c1-5-14(13(15)10(2)3)12-8-6-7-11(4)9-12/h6-9H,2,5H2,1,3-4H3

InChIKey

LLMLHXSJIKTFPN-UHFFFAOYSA-N

Compound name

N-ethyl-2-methyl-N-(3-methylphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.13101 Da
Monoisotopic Mass: 3.0
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]+	204.138286	146.9
[M+Na]+	226.120228	153.0
[M-H]-	202.123734	151.8
[M+NH4]+	221.164833	166.4
[M+K]+	242.094168	151.8
[M+H-H2O]+	186.128270	140.5
[M+HCOO]-	248.129211	170.3
[M+CH3COO]-	262.144861	194.2
[M+Na-2H]-	224.105676	149.4
[M]+	203.13046142	147.9
[M]-	203.13155858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe