CID 56763776

1248218-07-6

Structural Information

Molecular Formula
C7H13N5
SMILES
C1CN(CCN1)CC2=NC=NN2
InChI
InChI=1S/C7H13N5/c1-3-12(4-2-8-1)5-7-9-6-10-11-7/h6,8H,1-5H2,(H,9,10,11)
InChIKey
SZIIDHOJJHWLHH-UHFFFAOYSA-N
Compound name
1-(1H-1,2,4-triazol-5-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 138.8
[M+Na]+ 190.10632 144.5
[M-H]- 166.10982 135.2
[M+NH4]+ 185.15092 152.1
[M+K]+ 206.08026 140.8
[M+H-H2O]+ 150.11436 128.6
[M+HCOO]- 212.11530 152.2
[M+CH3COO]- 226.13095 148.3
[M+Na-2H]- 188.09177 143.4
[M]+ 167.11655 130.8
[M]- 167.11765 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

patents stripe