CID 100590

3,4,5-trihydroxybenzohydroxamic acid

Structural Information

Molecular Formula
C7H7NO5
SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)NO
InChI
InChI=1S/C7H7NO5/c9-4-1-3(7(12)8-13)2-5(10)6(4)11/h1-2,9-11,13H,(H,8,12)
InChIKey
XZPJXKWQNHZMNT-UHFFFAOYSA-N
Compound name
N,3,4,5-tetrahydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

185.03242 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03970 134.1
[M+Na]+ 208.02164 142.2
[M-H]- 184.02514 133.4
[M+NH4]+ 203.06624 151.1
[M+K]+ 223.99558 140.0
[M+H-H2O]+ 168.02968 129.1
[M+HCOO]- 230.03062 154.5
[M+CH3COO]- 244.04627 174.1
[M+Na-2H]- 206.00709 138.3
[M]+ 185.03187 132.0
[M]- 185.03297 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe