CID 136064010

1211511-74-8

Structural Information

Molecular Formula
C6H8N4O2
SMILES
C1CNC2=NN=C(N2C1)C(=O)O
InChI
InChI=1S/C6H8N4O2/c11-5(12)4-8-9-6-7-2-1-3-10(4)6/h1-3H2,(H,7,9)(H,11,12)
InChIKey
QDKMZFRUDGUAGB-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.06473 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07201 134.9
[M+Na]+ 191.05395 143.0
[M-H]- 167.05745 131.3
[M+NH4]+ 186.09855 151.1
[M+K]+ 207.02789 140.3
[M+H-H2O]+ 151.06199 127.1
[M+HCOO]- 213.06293 149.5
[M+CH3COO]- 227.07858 146.0
[M+Na-2H]- 189.03940 140.1
[M]+ 168.06418 130.8
[M]- 168.06528 130.8
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.