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]+ 168.124376 140.6
[M+Na]+ 190.106318 146.9
[M-H]- 166.109824 136.0
[M+NH4]+ 185.150923 153.5
[M+K]+ 206.080258 142.1
[M+H-H2O]+ 150.114360 131.0
[M+HCOO]- 212.115301 152.4
[M+CH3COO]- 226.130951 149.7
[M+Na-2H]- 188.091766 143.9
[M]+ 167.11655142 131.1
[M]- 167.11764858 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.