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: 718
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	130.1
[M+Na]+	171.07804	137.9
[M-H]-	147.08154	133.9
[M+NH4]+	166.12264	151.6
[M+K]+	187.05198	136.2
[M+H-H2O]+	131.08608	125.1
[M+HCOO]-	193.08702	153.3
[M+CH3COO]-	207.10267	175.9
[M+Na-2H]-	169.06349	138.6
[M]+	148.08827	130.7
[M]-	148.08937	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe