CID 12101989

Methyl 5-ethyl-2-hydroxybenzoate

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

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

InChI

InChI=1S/C10H12O3/c1-3-7-4-5-9(11)8(6-7)10(12)13-2/h4-6,11H,3H2,1-2H3

InChIKey

UYQRNNVMBJNSFD-UHFFFAOYSA-N

Compound name

methyl 5-ethyl-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 180.07864 Da
Monoisotopic Mass: 3.1
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]+	181.08592	137.4
[M+Na]+	203.06786	149.8
[M+NH4]+	198.11246	145.1
[M+K]+	219.04180	144.4
[M-H]-	179.07136	138.4
[M+Na-2H]-	201.05331	143.1
[M]+	180.07809	139.3
[M]-	180.07919	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe