CID 135767466

6h-[1,2,4]triazolo[1,5-c]pyrimidin-5-one

Structural Information

Molecular Formula
C5H4N4O
SMILES
C1=CNC(=O)N2C1=NC=N2
InChI
InChI=1S/C5H4N4O/c10-5-6-2-1-4-7-3-8-9(4)5/h1-3H,(H,6,10)
InChIKey
JDPCCIANHKTFII-UHFFFAOYSA-N
Compound name
6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

136.03851 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04579 122.2
[M+Na]+ 159.02773 134.7
[M-H]- 135.03123 121.1
[M+NH4]+ 154.07233 141.0
[M+K]+ 175.00167 131.3
[M+H-H2O]+ 119.03577 114.5
[M+HCOO]- 181.03671 143.7
[M+CH3COO]- 195.05236 136.3
[M+Na-2H]- 157.01318 132.6
[M]+ 136.03796 123.0
[M]- 136.03906 123.0
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