CID 75222

3,5-dimethyl-4-hydroxybenzaldehyde

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

CC1=CC(=CC(=C1O)C)C=O

InChI

InChI=1S/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H3

InChIKey

UYGBSRJODQHNLQ-UHFFFAOYSA-N

Compound name

4-hydroxy-3,5-dimethylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2286
Patents: 150.06808 Da
Monoisotopic Mass: 0.8
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]+	151.07536	129.0
[M+Na]+	173.05730	142.8
[M+NH4]+	168.10190	137.6
[M+K]+	189.03124	136.6
[M-H]-	149.06080	130.9
[M+Na-2H]-	171.04275	135.7
[M]+	150.06753	131.5
[M]-	150.06863	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe