CID 135452528

1-(2,3-dihydroxybenzylidene)semicarbazide

Structural Information

Molecular Formula
C8H9N3O3
SMILES
C1=CC(=C(C(=C1)O)O)/C=N/NC(=O)N
InChI
InChI=1S/C8H9N3O3/c9-8(14)11-10-4-5-2-1-3-6(12)7(5)13/h1-4,12-13H,(H3,9,11,14)/b10-4+
InChIKey
VUVRYXKDEOUOSV-ONNFQVAWSA-N
Compound name
[(E)-(2,3-dihydroxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

195.06439 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07167 138.7
[M+Na]+ 218.05361 145.6
[M-H]- 194.05711 141.2
[M+NH4]+ 213.09821 156.3
[M+K]+ 234.02755 143.6
[M+H-H2O]+ 178.06165 132.1
[M+HCOO]- 240.06259 164.5
[M+CH3COO]- 254.07824 186.9
[M+Na-2H]- 216.03906 144.0
[M]+ 195.06384 135.9
[M]- 195.06494 135.9
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

No patent data available for this compound.