CID 3856855

2-(3-methylphenyl)malondialdehyde

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

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

InChI

InChI=1S/C10H10O2/c1-8-3-2-4-9(5-8)10(6-11)7-12/h2-7,10H,1H3

InChIKey

XELVNYQHLUBJGP-UHFFFAOYSA-N

Compound name

2-(3-methylphenyl)propanedial

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 162.06808 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]+	163.07536	133.3
[M+Na]+	185.05730	146.3
[M+NH4]+	180.10190	141.6
[M+K]+	201.03124	139.9
[M-H]-	161.06080	135.1
[M+Na-2H]-	183.04275	140.2
[M]+	162.06753	135.6
[M]-	162.06863	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe