CID 10954194

3-hydroxy-5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H8N4O3
SMILES
C1C(NCC2=NNC(=O)N21)C(=O)O
InChI
InChI=1S/C6H8N4O3/c11-5(12)3-2-10-4(1-7-3)8-9-6(10)13/h3,7H,1-2H2,(H,9,13)(H,11,12)
InChIKey
RVABGCUDEVAWPY-UHFFFAOYSA-N
Compound name
3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.05965 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06693 138.1
[M+Na]+ 207.04887 146.7
[M-H]- 183.05237 133.6
[M+NH4]+ 202.09347 153.1
[M+K]+ 223.02281 143.1
[M+H-H2O]+ 167.05691 130.8
[M+HCOO]- 229.05785 151.5
[M+CH3COO]- 243.07350 172.3
[M+Na-2H]- 205.03432 142.1
[M]+ 184.05910 133.2
[M]- 184.06020 133.2
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.