CID 28742868

1152936-84-9

Structural Information

Molecular Formula
C6H8N6
SMILES
CN1C=C(C=N1)C2=NC(=NN2)N
InChI
InChI=1S/C6H8N6/c1-12-3-4(2-8-12)5-9-6(7)11-10-5/h2-3H,1H3,(H3,7,9,10,11)
InChIKey
YGRJLYWCICJPHT-UHFFFAOYSA-N
Compound name
5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.08104 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.088316 131.6
[M+Na]+ 187.070258 143.1
[M-H]- 163.073764 131.8
[M+NH4]+ 182.114863 148.1
[M+K]+ 203.044198 139.7
[M+H-H2O]+ 147.078300 122.4
[M+HCOO]- 209.079241 153.9
[M+CH3COO]- 223.094891 144.7
[M+Na-2H]- 185.055706 136.8
[M]+ 164.08049142 130.8
[M]- 164.08158858 130.8
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.