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]+ 168.124376 139.8
[M+Na]+ 190.106318 146.5
[M-H]- 166.109824 136.6
[M+NH4]+ 185.150923 153.5
[M+K]+ 206.080258 142.7
[M+H-H2O]+ 150.114360 130.0
[M+HCOO]- 212.115301 153.2
[M+CH3COO]- 226.130951 149.6
[M+Na-2H]- 188.091766 143.6
[M]+ 167.11655142 132.2
[M]- 167.11764858 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