CID 121552794

1909306-50-8

Structural Information

Molecular Formula
C7H13N5
SMILES
CC1=NC(=NN1)C2CNCCN2
InChI
InChI=1S/C7H13N5/c1-5-10-7(12-11-5)6-4-8-2-3-9-6/h6,8-9H,2-4H2,1H3,(H,10,11,12)
InChIKey
LPYSMDISJSPQKL-UHFFFAOYSA-N
Compound name
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.1171 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.12438 140.6
[M+Na]+ 190.10632 146.9
[M-H]- 166.10982 136.0
[M+NH4]+ 185.15092 153.5
[M+K]+ 206.08026 142.1
[M+H-H2O]+ 150.11436 131.0
[M+HCOO]- 212.11530 152.4
[M+CH3COO]- 226.13095 149.7
[M+Na-2H]- 188.09177 143.9
[M]+ 167.11655 131.1
[M]- 167.11765 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

No patent data available for this compound.