CID 49017

67032-33-1

Structural Information

Molecular Formula

C₁₁H₁₄O₅

SMILES

COC(=O)C1=CC(=CC=C1)OCC(CO)O

InChI

InChI=1S/C11H14O5/c1-15-11(14)8-3-2-4-10(5-8)16-7-9(13)6-12/h2-5,9,12-13H,6-7H2,1H3

InChIKey

APZIDRCACRTPAG-UHFFFAOYSA-N

Compound name

methyl 3-(2,3-dihydroxypropoxy)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 226.08412 Da
Monoisotopic Mass: 0.4
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]+	227.09140	148.8
[M+Na]+	249.07334	158.6
[M+NH4]+	244.11794	154.5
[M+K]+	265.04728	155.1
[M-H]-	225.07684	147.9
[M+Na-2H]-	247.05879	152.4
[M]+	226.08357	149.5
[M]-	226.08467	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe