CID 11819371

86582-31-2

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CC1=CC(=C(C=C1C)OC)C=O

InChI

InChI=1S/C10H12O2/c1-7-4-9(6-11)10(12-3)5-8(7)2/h4-6H,1-3H3

InChIKey

BFVZDEJGUQFXCV-UHFFFAOYSA-N

Compound name

2-methoxy-4,5-dimethylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 164.08372 Da
Monoisotopic Mass: 2.1
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]+	165.09100	130.9
[M+Na]+	187.07294	141.1
[M-H]-	163.07644	135.6
[M+NH4]+	182.11754	152.6
[M+K]+	203.04688	139.6
[M+H-H2O]+	147.08098	125.9
[M+HCOO]-	209.08192	155.9
[M+CH3COO]-	223.09757	181.0
[M+Na-2H]-	185.05839	136.8
[M]+	164.08317	134.7
[M]-	164.08427	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe