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

8
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 134.4
[M+Na]+ 207.02639 142.9
[M-H]- 183.02989 133.6
[M+NH4]+ 202.07099 151.8
[M+K]+ 223.00033 140.4
[M+H-H2O]+ 167.03443 129.7
[M+HCOO]- 229.03537 153.4
[M+CH3COO]- 243.05102 172.4
[M+Na-2H]- 205.01184 137.8
[M]+ 184.03662 133.5
[M]- 184.03772 133.5
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