CID 370

Gallic acid

Structural Information

Molecular Formula
C7H6O5
SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)O
InChI
InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChIKey
LNTHITQWFMADLM-UHFFFAOYSA-N
Compound name
3,4,5-trihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

6026
References

40787
Patents

170.02153 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02881 129.8
[M+Na]+ 193.01075 138.7
[M-H]- 169.01425 129.2
[M+NH4]+ 188.05535 147.8
[M+K]+ 208.98469 136.5
[M+H-H2O]+ 153.01879 125.3
[M+HCOO]- 215.01973 149.1
[M+CH3COO]- 229.03538 169.4
[M+Na-2H]- 190.99620 133.7
[M]+ 170.02098 128.5
[M]- 170.02208 128.5
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

No patent data available for this compound.