CID 25323807

[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid

Structural Information

Molecular Formula
C6H4N4O2
SMILES
C1=C(N2C(=NC=N2)N=C1)C(=O)O
InChI
InChI=1S/C6H4N4O2/c11-5(12)4-1-2-7-6-8-3-9-10(4)6/h1-3H,(H,11,12)
InChIKey
XKPHOIBYGSRXTJ-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.03343 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04071 129.3
[M+Na]+ 187.02265 140.9
[M-H]- 163.02615 128.3
[M+NH4]+ 182.06725 146.8
[M+K]+ 202.99659 138.3
[M+H-H2O]+ 147.03069 121.4
[M+HCOO]- 209.03163 149.8
[M+CH3COO]- 223.04728 142.8
[M+Na-2H]- 185.00810 138.2
[M]+ 164.03288 131.3
[M]- 164.03398 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.