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 150.5
[M+Na]+ 265.06826 156.7
[M-H]- 241.07176 150.2
[M+NH4]+ 260.11286 165.7
[M+K]+ 281.04220 155.6
[M+H-H2O]+ 225.07630 144.5
[M+HCOO]- 287.07724 169.2
[M+CH3COO]- 301.09289 185.6
[M+Na-2H]- 263.05371 152.4
[M]+ 242.07849 152.9
[M]- 242.07959 152.9
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.