CID 79523

Methyl 4-methoxysalicylate

Structural Information

Molecular Formula

C₉H₁₀O₄

SMILES

COC1=CC(=C(C=C1)C(=O)OC)O

InChI

InChI=1S/C9H10O4/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5,10H,1-2H3

InChIKey

ZICRWXFGZCVTBZ-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-4-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 839
Patents: 182.0579 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]+	183.06518	134.6
[M+Na]+	205.04712	143.4
[M-H]-	181.05062	137.7
[M+NH4]+	200.09172	154.3
[M+K]+	221.02106	142.7
[M+H-H2O]+	165.05516	129.2
[M+HCOO]-	227.05610	157.8
[M+CH3COO]-	241.07175	178.5
[M+Na-2H]-	203.03257	139.8
[M]+	182.05735	137.8
[M]-	182.05845	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe