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

39
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 118.4
[M+Na]+ 135.02773 128.5
[M-H]- 111.03123 116.9
[M+NH4]+ 130.07233 136.0
[M+K]+ 151.00167 126.0
[M+H-H2O]+ 95.035770 111.3
[M+HCOO]- 157.03671 140.3
[M+CH3COO]- 171.05236 165.4
[M+Na-2H]- 133.01318 127.9
[M]+ 112.03796 115.1
[M]- 112.03906 115.1
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