CID 135506152

3-amino-1,2,4-triazin-5(2h)-one

Structural Information

Molecular Formula
C3H4N4O
SMILES
C1=NN=C(NC1=O)N
InChI
InChI=1S/C3H4N4O/c4-3-6-2(8)1-5-7-3/h1H,(H3,4,6,7,8)
InChIKey
OWAYVVLCHUWASK-UHFFFAOYSA-N
Compound name
3-amino-4H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

27
Patents

112.03851 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.04579 117.5
[M+Na]+ 135.02773 129.7
[M+NH4]+ 130.07233 124.2
[M+K]+ 151.00167 125.3
[M-H]- 111.03123 117.2
[M+Na-2H]- 133.01318 124.1
[M]+ 112.03796 118.7
[M]- 112.03906 118.7
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