CID 199771

1h-1,2,4-triazole, 1,5-diamino-3-phenyl-

Structural Information

Molecular Formula
C8H9N5
SMILES
C1=CC=C(C=C1)C2=NN(C(=N2)N)N
InChI
InChI=1S/C8H9N5/c9-8-11-7(12-13(8)10)6-4-2-1-3-5-6/h1-5H,10H2,(H2,9,11,12)
InChIKey
AMQVYMMYAWYAJK-UHFFFAOYSA-N
Compound name
3-phenyl-1,2,4-triazole-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0858 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09308 134.9
[M+Na]+ 198.07502 144.4
[M-H]- 174.07852 137.8
[M+NH4]+ 193.11962 152.0
[M+K]+ 214.04896 140.7
[M+H-H2O]+ 158.08306 126.1
[M+HCOO]- 220.08400 159.0
[M+CH3COO]- 234.09965 147.9
[M+Na-2H]- 196.06047 141.2
[M]+ 175.08525 131.7
[M]- 175.08635 131.7
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

No patent data available for this compound.