CID 20304425

61630-05-5

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

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

InChI

InChI=1S/C12H15NO2/c1-9(13-10(2)15)7-11-3-5-12(8-14)6-4-11/h3-6,8-9H,7H2,1-2H3,(H,13,15)

InChIKey

GXVMVLSWIPHEMH-UHFFFAOYSA-N

Compound name

N-[1-(4-formylphenyl)propan-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 205.11028 Da
Monoisotopic Mass: 1.4
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]+	206.11756	146.2
[M+Na]+	228.09950	152.5
[M-H]-	204.10300	149.8
[M+NH4]+	223.14410	164.9
[M+K]+	244.07344	150.6
[M+H-H2O]+	188.10754	139.9
[M+HCOO]-	250.10848	169.7
[M+CH3COO]-	264.12413	189.7
[M+Na-2H]-	226.08495	149.9
[M]+	205.10973	146.9
[M]-	205.11083	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe