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]+ 213.075746 142.3
[M+Na]+ 235.057688 151.8
[M-H]- 211.061194 141.9
[M+NH4]+ 230.102293 159.2
[M+K]+ 251.031628 149.1
[M+H-H2O]+ 195.065730 137.8
[M+HCOO]- 257.066671 160.6
[M+CH3COO]- 271.082321 181.2
[M+Na-2H]- 233.043136 143.3
[M]+ 212.06792142 143.0
[M]- 212.06901858 143.0
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

No patent data available for this compound.