CID 135422428

35186-69-7

Structural Information

Molecular Formula
C5H5N5O
SMILES
C1=C(N2C(=NC=N2)NC1=O)N
InChI
InChI=1S/C5H5N5O/c6-3-1-4(11)9-5-7-2-8-10(3)5/h1-2H,6H2,(H,7,8,9,11)
InChIKey
JIXZXRNBZVMIQJ-UHFFFAOYSA-N
Compound name
7-amino-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

83
Patents

151.04941 Da
Monoisotopic Mass

-1.0
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

literature stripe

Patent stripe

patents stripe