CID 542159

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

Structural Information

Molecular Formula
C6H3BrN4O2
SMILES
C1=C(C=NC2=NC(=NN21)C(=O)O)Br
InChI
InChI=1S/C6H3BrN4O2/c7-3-1-8-6-9-4(5(12)13)10-11(6)2-3/h1-2H,(H,12,13)
InChIKey
YSENOEHSZPNZDP-UHFFFAOYSA-N
Compound name
6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

241.94394 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.95122 136.2
[M+Na]+ 264.93316 151.3
[M-H]- 240.93666 138.5
[M+NH4]+ 259.97776 154.6
[M+K]+ 280.90710 140.5
[M+H-H2O]+ 224.94120 135.3
[M+HCOO]- 286.94214 154.6
[M+CH3COO]- 300.95779 151.3
[M+Na-2H]- 262.91861 145.5
[M]+ 241.94339 157.1
[M]- 241.94449 157.1
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