CID 82843008

3-(2,3-dihydroxypropoxy)-4-methoxybenzoic acid

Structural Information

Molecular Formula
C11H14O6
SMILES
COC1=C(C=C(C=C1)C(=O)O)OCC(CO)O
InChI
InChI=1S/C11H14O6/c1-16-9-3-2-7(11(14)15)4-10(9)17-6-8(13)5-12/h2-4,8,12-13H,5-6H2,1H3,(H,14,15)
InChIKey
BOVBBWNILSKEHU-UHFFFAOYSA-N
Compound name
3-(2,3-dihydroxypropoxy)-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07904 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08632 151.7
[M+Na]+ 265.06826 160.7
[M+NH4]+ 260.11286 156.4
[M+K]+ 281.04220 158.3
[M-H]- 241.07176 149.7
[M+Na-2H]- 263.05371 154.0
[M]+ 242.07849 151.9
[M]- 242.07959 151.9
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

No patent data available for this compound.