CID 25219471

89488-18-6

Structural Information

Molecular Formula
C6H5N5O2
SMILES
C1=NC2=NC=NN2C(=C1C(=O)O)N
InChI
InChI=1S/C6H5N5O2/c7-4-3(5(12)13)1-8-6-9-2-10-11(4)6/h1-2H,7H2,(H,12,13)
InChIKey
PTSICDOKXJVZBO-UHFFFAOYSA-N
Compound name
7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.04433 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05161 133.6
[M+Na]+ 202.03355 145.2
[M-H]- 178.03705 132.6
[M+NH4]+ 197.07815 150.1
[M+K]+ 218.00749 142.2
[M+H-H2O]+ 162.04159 125.7
[M+HCOO]- 224.04253 154.5
[M+CH3COO]- 238.05818 146.6
[M+Na-2H]- 200.01900 141.3
[M]+ 179.04378 134.3
[M]- 179.04488 134.3
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.