CID 132132328

2152661-10-2

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

CCOC(=O)C1=C(C(=C(C=C1)C=O)O)C

InChI

InChI=1S/C11H12O4/c1-3-15-11(14)9-5-4-8(6-12)10(13)7(9)2/h4-6,13H,3H2,1-2H3

InChIKey

GBHFUSANEMGGGE-UHFFFAOYSA-N

Compound name

ethyl 4-formyl-3-hydroxy-2-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 208.07356 Da
Monoisotopic Mass: 2.2
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]+	209.08084	143.8
[M+Na]+	231.06278	155.9
[M+NH4]+	226.10738	150.4
[M+K]+	247.03672	151.0
[M-H]-	207.06628	144.0
[M+Na-2H]-	229.04823	148.4
[M]+	208.07301	145.4
[M]-	208.07411	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe