CID 135515789

21383-22-2

Structural Information

Molecular Formula
C3H5N5O
SMILES
C1=NN=C(NC1=O)NN
InChI
InChI=1S/C3H5N5O/c4-7-3-6-2(9)1-5-8-3/h1H,4H2,(H2,6,7,8,9)
InChIKey
VZVCIMDPWUKXBT-UHFFFAOYSA-N
Compound name
3-hydrazinyl-4H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

127.04941 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05669 121.8
[M+Na]+ 150.03863 130.9
[M-H]- 126.04213 120.3
[M+NH4]+ 145.08323 138.4
[M+K]+ 166.01257 128.3
[M+H-H2O]+ 110.04667 114.2
[M+HCOO]- 172.04761 144.7
[M+CH3COO]- 186.06326 170.5
[M+Na-2H]- 148.02408 131.7
[M]+ 127.04886 117.8
[M]- 127.04996 117.8
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