CID 592744

3,4,5-trihydroxybenzohydrazide

Structural Information

Molecular Formula
C7H8N2O4
SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)NN
InChI
InChI=1S/C7H8N2O4/c8-9-7(13)3-1-4(10)6(12)5(11)2-3/h1-2,10-12H,8H2,(H,9,13)
InChIKey
FBCVSPDPLQWYJV-UHFFFAOYSA-N
Compound name
3,4,5-trihydroxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

35
Patents

184.0484 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.055676 135.3
[M+Na]+ 207.037618 143.1
[M-H]- 183.041124 135.5
[M+NH4]+ 202.082223 152.6
[M+K]+ 223.011558 140.8
[M+H-H2O]+ 167.045660 129.8
[M+HCOO]- 229.046601 157.4
[M+CH3COO]- 243.062251 179.0
[M+Na-2H]- 205.023066 139.1
[M]+ 184.04785142 131.8
[M]- 184.04894858 131.8
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