CID 283879

2-methyl-2-phenylpropanal

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

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

InChI

InChI=1S/C10H12O/c1-10(2,8-11)9-6-4-3-5-7-9/h3-8H,1-2H3

InChIKey

RJOWHRLIQNKYKW-UHFFFAOYSA-N

Compound name

2-methyl-2-phenylpropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 575
Patents: 148.08882 Da
Monoisotopic Mass: 2.3
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]+	149.09610	131.5
[M+Na]+	171.07804	144.6
[M+NH4]+	166.12264	140.6
[M+K]+	187.05198	138.0
[M-H]-	147.08154	133.6
[M+Na-2H]-	169.06349	139.5
[M]+	148.08827	134.1
[M]-	148.08937	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe