CID 3021604

2,6-dihydroxy-4-(hydroxymethyl)benzoic acid

Structural Information

Molecular Formula
C8H8O5
SMILES
C1=C(C=C(C(=C1O)C(=O)O)O)CO
InChI
InChI=1S/C8H8O5/c9-3-4-1-5(10)7(8(12)13)6(11)2-4/h1-2,9-11H,3H2,(H,12,13)
InChIKey
YNXCONKSDCFRFV-UHFFFAOYSA-N
Compound name
2,6-dihydroxy-4-(hydroxymethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

184.03717 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04445 135.7
[M+Na]+ 207.02639 146.1
[M+NH4]+ 202.07099 141.4
[M+K]+ 223.00033 143.5
[M-H]- 183.02989 134.2
[M+Na-2H]- 205.01184 138.8
[M]+ 184.03662 136.3
[M]- 184.03772 136.3
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