CID 13909571

3-hydroxy-4-(hydroxymethyl)benzoic acid

Structural Information

Molecular Formula
C8H8O4
SMILES
C1=CC(=C(C=C1C(=O)O)O)CO
InChI
InChI=1S/C8H8O4/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-3,9-10H,4H2,(H,11,12)
InChIKey
LUQAZOYFYBTSKU-UHFFFAOYSA-N
Compound name
3-hydroxy-4-(hydroxymethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

168.04225 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 131.4
[M+Na]+ 191.03147 139.7
[M-H]- 167.03497 131.8
[M+NH4]+ 186.07607 150.1
[M+K]+ 207.00541 137.4
[M+H-H2O]+ 151.03951 126.7
[M+HCOO]- 213.04045 151.9
[M+CH3COO]- 227.05610 171.2
[M+Na-2H]- 189.01692 136.1
[M]+ 168.04170 130.6
[M]- 168.04280 130.6
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