CID 135464785

Brn 3607284

Structural Information

Molecular Formula
C5H5N5O
SMILES
C1=C(NC(=O)N2C1=NC=N2)N
InChI
InChI=1S/C5H5N5O/c6-3-1-4-7-2-8-10(4)5(11)9-3/h1-2H,6H2,(H,9,11)
InChIKey
MXYKQSNWYAYSSF-UHFFFAOYSA-N
Compound name
7-amino-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.04941 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05669 126.5
[M+Na]+ 174.03863 139.1
[M-H]- 150.04213 125.5
[M+NH4]+ 169.08323 144.4
[M+K]+ 190.01257 135.2
[M+H-H2O]+ 134.04667 118.8
[M+HCOO]- 196.04761 148.5
[M+CH3COO]- 210.06326 140.2
[M+Na-2H]- 172.02408 135.8
[M]+ 151.04886 126.1
[M]- 151.04996 126.1
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

No patent data available for this compound.