CID 5162418

202394-57-8

Structural Information

Molecular Formula
C8H9N5
SMILES
C1=CC(=CC=C1NN)N2C=NN=C2
InChI
InChI=1S/C8H9N5/c9-12-7-1-3-8(4-2-7)13-5-10-11-6-13/h1-6,12H,9H2
InChIKey
LDKIYTFDNJHIGI-UHFFFAOYSA-N
Compound name
[4-(1,2,4-triazol-4-yl)phenyl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

175.0858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09308 133.7
[M+Na]+ 198.07502 142.1
[M-H]- 174.07852 136.6
[M+NH4]+ 193.11962 150.6
[M+K]+ 214.04896 138.9
[M+H-H2O]+ 158.08306 124.5
[M+HCOO]- 220.08400 158.4
[M+CH3COO]- 234.09965 146.6
[M+Na-2H]- 196.06047 141.9
[M]+ 175.08525 131.1
[M]- 175.08635 131.1
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