CID 98542

3-hydrazino-5-phenyl-1,2,4-triazine

Structural Information

Molecular Formula
C9H9N5
SMILES
C1=CC=C(C=C1)C2=CN=NC(=N2)NN
InChI
InChI=1S/C9H9N5/c10-13-9-12-8(6-11-14-9)7-4-2-1-3-5-7/h1-6H,10H2,(H,12,13,14)
InChIKey
XNMHGSWBLYFSHI-UHFFFAOYSA-N
Compound name
(5-phenyl-1,2,4-triazin-3-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

187.0858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09308 138.4
[M+Na]+ 210.07502 146.7
[M-H]- 186.07852 141.0
[M+NH4]+ 205.11962 153.0
[M+K]+ 226.04896 142.5
[M+H-H2O]+ 170.08306 129.0
[M+HCOO]- 232.08400 162.0
[M+CH3COO]- 246.09965 150.6
[M+Na-2H]- 208.06047 148.8
[M]+ 187.08525 135.3
[M]- 187.08635 135.3
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