CID 162345614

Ns00133488

Structural Information

Molecular Formula
C8H8N2O6
SMILES
C1(=C(C(=C(C(=C1O)O)O)C(=O)N)O)C(=O)N
InChI
InChI=1S/C8H8N2O6/c9-7(15)1-3(11)2(8(10)16)5(13)6(14)4(1)12/h11-14H,(H2,9,15)(H2,10,16)
InChIKey
XGFVYSQBPCKXSO-UHFFFAOYSA-N
Compound name
2,4,5,6-tetrahydroxybenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.03824 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.045516 144.8
[M+Na]+ 251.027458 152.9
[M-H]- 227.030964 143.5
[M+NH4]+ 246.072063 159.2
[M+K]+ 267.001398 150.9
[M+H-H2O]+ 211.035500 139.2
[M+HCOO]- 273.036441 163.6
[M+CH3COO]- 287.052091 188.4
[M+Na-2H]- 249.012906 143.8
[M]+ 228.03769142 141.1
[M]- 228.03878858 141.1
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.