CID 2818110

2-(carboxymethoxy)-3-methoxybenzoic acid

Structural Information

Molecular Formula
C10H10O6
SMILES
COC1=CC=CC(=C1OCC(=O)O)C(=O)O
InChI
InChI=1S/C10H10O6/c1-15-7-4-2-3-6(10(13)14)9(7)16-5-8(11)12/h2-4H,5H2,1H3,(H,11,12)(H,13,14)
InChIKey
LCVDKSGOJCTNKI-UHFFFAOYSA-N
Compound name
2-(carboxymethoxy)-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

226.04774 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05502 143.7
[M+Na]+ 249.03696 151.2
[M-H]- 225.04046 145.0
[M+NH4]+ 244.08156 160.3
[M+K]+ 265.01090 150.5
[M+H-H2O]+ 209.04500 137.8
[M+HCOO]- 271.04594 164.5
[M+CH3COO]- 285.06159 184.2
[M+Na-2H]- 247.02241 146.7
[M]+ 226.04719 147.0
[M]- 226.04829 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe