CID 68469

Methoxymethyl salicylate

Structural Information

Molecular Formula

C₉H₁₀O₄

SMILES

COCOC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C9H10O4/c1-12-6-13-9(11)7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3

InChIKey

NTIBMIIYTKPBNR-UHFFFAOYSA-N

Compound name

methoxymethyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 274
Patents: 182.0579 Da
Monoisotopic Mass: 2.5
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	135.4
[M+Na]+	205.04712	143.3
[M-H]-	181.05062	138.1
[M+NH4]+	200.09172	154.8
[M+K]+	221.02106	142.5
[M+H-H2O]+	165.05516	129.8
[M+HCOO]-	227.05610	158.7
[M+CH3COO]-	241.07175	177.3
[M+Na-2H]-	203.03257	141.3
[M]+	182.05735	138.2
[M]-	182.05845	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe