CID 5466847

Nsc644313

Structural Information

Molecular Formula
C5H5N3O4
SMILES
C1=C(NNC(=N1)C(=O)O)C(=O)O
InChI
InChI=1S/C5H5N3O4/c9-4(10)2-1-6-3(5(11)12)8-7-2/h1,7H,(H,6,8)(H,9,10)(H,11,12)
InChIKey
UEULCWFCHYEPFU-UHFFFAOYSA-N
Compound name
1,2-dihydro-1,2,4-triazine-3,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.028 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.03528 133.7
[M+Na]+ 194.01722 140.9
[M-H]- 170.02072 128.2
[M+NH4]+ 189.06182 146.8
[M+K]+ 209.99116 138.0
[M+H-H2O]+ 154.02526 126.9
[M+HCOO]- 216.02620 147.4
[M+CH3COO]- 230.04185 167.7
[M+Na-2H]- 192.00267 137.9
[M]+ 171.02745 128.3
[M]- 171.02855 128.3
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.