CID 10236017

161876-64-8

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

CCC1=CC(=C(C=C1)C=O)O

InChI

InChI=1S/C9H10O2/c1-2-7-3-4-8(6-10)9(11)5-7/h3-6,11H,2H2,1H3

InChIKey

GHKLSRUKZUYUAD-UHFFFAOYSA-N

Compound name

4-ethyl-2-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 136
Patents: 150.06808 Da
Monoisotopic Mass: 2.4
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]+	151.075356	128.1
[M+Na]+	173.057298	137.3
[M-H]-	149.060804	131.2
[M+NH4]+	168.101903	149.3
[M+K]+	189.031238	135.1
[M+H-H2O]+	133.065340	123.3
[M+HCOO]-	195.066281	152.0
[M+CH3COO]-	209.081931	174.1
[M+Na-2H]-	171.042746	134.7
[M]+	150.06753142	129.2
[M]-	150.06862858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe