CID 25247790

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

Structural Information

Molecular Formula
C7H6N4O2
SMILES
CC1=NC2=NC=NN2C(=C1)C(=O)O
InChI
InChI=1S/C7H6N4O2/c1-4-2-5(6(12)13)11-7(10-4)8-3-9-11/h2-3H,1H3,(H,12,13)
InChIKey
RKAWJDPFMFPHRW-UHFFFAOYSA-N
Compound name
5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

178.04907 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05635 134.5
[M+Na]+ 201.03829 147.7
[M+NH4]+ 196.08289 140.8
[M+K]+ 217.01223 145.2
[M-H]- 177.04179 133.1
[M+Na-2H]- 199.02374 139.9
[M]+ 178.04852 135.7
[M]- 178.04962 135.7
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

patents stripe