CID 16767598

3-hydrazinyl-4-methyl-5-phenyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C9H11N5
SMILES
CN1C(=NN=C1NN)C2=CC=CC=C2
InChI
InChI=1S/C9H11N5/c1-14-8(12-13-9(14)11-10)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,13)
InChIKey
PTICRJHPJJHINP-UHFFFAOYSA-N
Compound name
(4-methyl-5-phenyl-1,2,4-triazol-3-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.10144 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10872 139.1
[M+Na]+ 212.09066 148.1
[M-H]- 188.09416 142.3
[M+NH4]+ 207.13526 155.9
[M+K]+ 228.06460 144.6
[M+H-H2O]+ 172.09870 130.0
[M+HCOO]- 234.09964 163.5
[M+CH3COO]- 248.11529 152.0
[M+Na-2H]- 210.07611 145.9
[M]+ 189.10089 137.3
[M]- 189.10199 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe