CID 7472049

1-((4-hydrazinylphenyl)methyl)-1h-1,2,4-triazole hydrochloride (1:2)

Structural Information

Molecular Formula
C9H11N5
SMILES
C1=CC(=CC=C1CN2C=NC=N2)NN
InChI
InChI=1S/C9H11N5/c10-13-9-3-1-8(2-4-9)5-14-7-11-6-12-14/h1-4,6-7,13H,5,10H2
InChIKey
FUJKUTJPEGEMHG-UHFFFAOYSA-N
Compound name
[4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

189.10144 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.108716 138.1
[M+Na]+ 212.090658 146.1
[M-H]- 188.094164 140.8
[M+NH4]+ 207.135263 154.5
[M+K]+ 228.064598 142.6
[M+H-H2O]+ 172.098700 128.7
[M+HCOO]- 234.099641 162.5
[M+CH3COO]- 248.115291 150.6
[M+Na-2H]- 210.076106 145.7
[M]+ 189.10089142 135.8
[M]- 189.10198858 135.8
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