CID 53403654

1081798-35-7

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

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

InChI

InChI=1S/C10H12O2/c1-8-7-10(12-2)4-3-9(8)5-6-11/h3-4,6-7H,5H2,1-2H3

InChIKey

RTQZKMSMGKZSSV-UHFFFAOYSA-N

Compound name

2-(4-methoxy-2-methylphenyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 164.08372 Da
Monoisotopic Mass: 1.7
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	131.9
[M+Na]+	187.07294	141.1
[M-H]-	163.07644	136.2
[M+NH4]+	182.11754	153.3
[M+K]+	203.04688	139.6
[M+H-H2O]+	147.08098	126.6
[M+HCOO]-	209.08192	156.9
[M+CH3COO]-	223.09757	179.8
[M+Na-2H]-	185.05839	138.4
[M]+	164.08317	135.3
[M]-	164.08427	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe