CID 256341

4546-95-6

Structural Information

Molecular Formula
C4H3N3O4
SMILES
C1(=NNN=C1C(=O)O)C(=O)O
InChI
InChI=1S/C4H3N3O4/c8-3(9)1-2(4(10)11)6-7-5-1/h(H,8,9)(H,10,11)(H,5,6,7)
InChIKey
TZFOEYRGARRRGO-UHFFFAOYSA-N
Compound name
2H-triazole-4,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

761
Patents

157.01236 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.01964 127.9
[M+Na]+ 180.00158 136.6
[M-H]- 156.00508 124.3
[M+NH4]+ 175.04618 144.1
[M+K]+ 195.97552 135.1
[M+H-H2O]+ 140.00962 121.2
[M+HCOO]- 202.01056 145.6
[M+CH3COO]- 216.02621 166.6
[M+Na-2H]- 177.98703 131.6
[M]+ 157.01181 125.9
[M]- 157.01291 125.9
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

patents stripe