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]+ 152.056686 126.5
[M+Na]+ 174.038628 139.1
[M-H]- 150.042134 125.5
[M+NH4]+ 169.083233 144.4
[M+K]+ 190.012568 135.2
[M+H-H2O]+ 134.046670 118.8
[M+HCOO]- 196.047611 148.5
[M+CH3COO]- 210.063261 140.2
[M+Na-2H]- 172.024076 135.8
[M]+ 151.04886142 126.1
[M]- 151.04995858 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.