CID 91820253

4,6-dihydroxy-2-(hydroxymethyl)-3,5-dimethylbenzoate

Structural Information

Molecular Formula
C10H12O5
SMILES
CC1=C(C(=C(C(=C1O)C)O)C(=O)O)CO
InChI
InChI=1S/C10H12O5/c1-4-6(3-11)7(10(14)15)9(13)5(2)8(4)12/h11-13H,3H2,1-2H3,(H,14,15)
InChIKey
WDDYGGTZWBBVIB-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-6-(hydroxymethyl)-3,5-dimethylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

212.06847 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 144.3
[M+Na]+ 235.05769 155.1
[M+NH4]+ 230.10229 149.7
[M+K]+ 251.03163 152.4
[M-H]- 211.06119 142.8
[M+Na-2H]- 233.04314 146.5
[M]+ 212.06792 145.1
[M]- 212.06902 145.1
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.