CID 45082911

2-ethyl-4-hydroxybenzaldehyde

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

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

InChI

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

InChIKey

NHONMDAFARLXAU-UHFFFAOYSA-N

Compound name

2-ethyl-4-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 150.06808 Da
Monoisotopic Mass: 1.8
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	129.4
[M+Na]+	173.05730	142.8
[M+NH4]+	168.10190	138.0
[M+K]+	189.03124	136.4
[M-H]-	149.06080	131.3
[M+Na-2H]-	171.04275	136.3
[M]+	150.06753	131.8
[M]-	150.06863	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe