CID 61814

2,4-dimethylbenzaldehyde

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

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

InChI

InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3

InChIKey

GISVICWQYMUPJF-UHFFFAOYSA-N

Compound name

2,4-dimethylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 4
References: 4754
Patents: 134.07317 Da
Monoisotopic Mass: 2.5
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]+	135.08045	123.7
[M+Na]+	157.06239	133.4
[M-H]-	133.06589	128.2
[M+NH4]+	152.10699	146.3
[M+K]+	173.03633	131.6
[M+H-H2O]+	117.07043	118.9
[M+HCOO]-	179.07137	148.8
[M+CH3COO]-	193.08702	174.7
[M+Na-2H]-	155.04784	130.9
[M]+	134.07262	125.2
[M]-	134.07372	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.