CID 21572647

2-ethoxy-5-methylbenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CCOC1=C(C=C(C=C1)C)C=O

InChI

InChI=1S/C10H12O2/c1-3-12-10-5-4-8(2)6-9(10)7-11/h4-7H,3H2,1-2H3

InChIKey

RSGOAAROJJWZSJ-UHFFFAOYSA-N

Compound name

2-ethoxy-5-methylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	133.4
[M+Na]+	187.07294	147.1
[M+NH4]+	182.11754	142.1
[M+K]+	203.04688	140.1
[M-H]-	163.07644	135.7
[M+Na-2H]-	185.05839	140.6
[M]+	164.08317	136.0
[M]-	164.08427	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe