CID 67094123

Schembl1607897

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

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

InChI

InChI=1S/C13H17NO/c1-10(2)9-14(12(4)15)13-7-5-11(3)6-8-13/h5-8H,1,9H2,2-4H3

InChIKey

NCOLWUYQHKFLDX-UHFFFAOYSA-N

Compound name

N-(4-methylphenyl)-N-(2-methylprop-2-enyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 203.13101 Da
Monoisotopic Mass: 2.9
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]+	204.13829	146.9
[M+Na]+	226.12023	153.0
[M-H]-	202.12373	151.8
[M+NH4]+	221.16483	166.4
[M+K]+	242.09417	151.8
[M+H-H2O]+	186.12827	140.5
[M+HCOO]-	248.12921	170.3
[M+CH3COO]-	262.14486	194.2
[M+Na-2H]-	224.10568	149.4
[M]+	203.13046	147.9
[M]-	203.13156	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe