CID 1263650

[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C6H4N4O2
SMILES
C1=CN2C(=NC(=N2)C(=O)O)N=C1
InChI
InChI=1S/C6H4N4O2/c11-5(12)4-8-6-7-2-1-3-10(6)9-4/h1-3H,(H,11,12)
InChIKey
SIJYLNWLBGNWSS-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

164.03343 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.040706 129.3
[M+Na]+ 187.022648 140.9
[M-H]- 163.026154 128.3
[M+NH4]+ 182.067253 146.8
[M+K]+ 202.996588 138.3
[M+H-H2O]+ 147.030690 121.4
[M+HCOO]- 209.031631 149.8
[M+CH3COO]- 223.047281 142.8
[M+Na-2H]- 185.008096 138.2
[M]+ 164.03288142 131.3
[M]- 164.03397858 131.3
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