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

20
Patents

168.04225 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.049526 131.4
[M+Na]+ 191.031468 139.7
[M-H]- 167.034974 131.8
[M+NH4]+ 186.076073 150.1
[M+K]+ 207.005408 137.4
[M+H-H2O]+ 151.039510 126.7
[M+HCOO]- 213.040451 151.9
[M+CH3COO]- 227.056101 171.2
[M+Na-2H]- 189.016916 136.1
[M]+ 168.04170142 130.6
[M]- 168.04279858 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