CID 138017817

2241138-83-8

Structural Information

Molecular Formula
C6H8N6
SMILES
CN1C(=CC=N1)C2=NNN=C2N
InChI
InChI=1S/C6H8N6/c1-12-4(2-3-8-12)5-6(7)10-11-9-5/h2-3H,1H3,(H3,7,9,10,11)
InChIKey
SIXWXWYKXSNEJJ-UHFFFAOYSA-N
Compound name
5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.08104 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.08832 131.6
[M+Na]+ 187.07026 143.1
[M-H]- 163.07376 131.8
[M+NH4]+ 182.11486 148.1
[M+K]+ 203.04420 139.7
[M+H-H2O]+ 147.07830 122.4
[M+HCOO]- 209.07924 153.9
[M+CH3COO]- 223.09489 144.7
[M+Na-2H]- 185.05571 136.8
[M]+ 164.08049 130.8
[M]- 164.08159 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.