CID 11128397

88755-16-2

Structural Information

Molecular Formula

C₁₁H₁₂O₆

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)O

InChI

InChI=1S/C11H12O6/c1-15-7-4-6(9(12)11(13)14)5-8(16-2)10(7)17-3/h4-5H,1-3H3,(H,13,14)

InChIKey

LADJHQSUVNTXES-UHFFFAOYSA-N

Compound name

2-oxo-2-(3,4,5-trimethoxyphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 171
Patents: 240.06339 Da
Monoisotopic Mass: 1.2
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]+	241.07067	149.2
[M+Na]+	263.05261	159.9
[M+NH4]+	258.09721	154.5
[M+K]+	279.02655	157.0
[M-H]-	239.05611	148.2
[M+Na-2H]-	261.03806	152.6
[M]+	240.06284	150.1
[M]-	240.06394	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe