CID 75488628

1-(3-methyl-1h-1,2,4-triazol-5-yl)piperazine dihydrochloride

Structural Information

Molecular Formula
C7H13N5
SMILES
CC1=NC(=NN1)N2CCNCC2
InChI
InChI=1S/C7H13N5/c1-6-9-7(11-10-6)12-4-2-8-3-5-12/h8H,2-5H2,1H3,(H,9,10,11)
InChIKey
QLPGXJQFIIUZBP-UHFFFAOYSA-N
Compound name
1-(5-methyl-1H-1,2,4-triazol-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.1171 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.12438 139.8
[M+Na]+ 190.10632 146.5
[M-H]- 166.10982 136.6
[M+NH4]+ 185.15092 153.5
[M+K]+ 206.08026 142.7
[M+H-H2O]+ 150.11436 130.0
[M+HCOO]- 212.11530 153.2
[M+CH3COO]- 226.13095 149.6
[M+Na-2H]- 188.09177 143.6
[M]+ 167.11655 132.2
[M]- 167.11765 132.2
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

patents stripe