CID 12296696

3-(piperazin-1-yl)-1,2,4-triazinedihydrochloride

Structural Information

Molecular Formula
C7H11N5
SMILES
C1CN(CCN1)C2=NC=CN=N2
InChI
InChI=1S/C7H11N5/c1-2-10-11-7(9-1)12-5-3-8-4-6-12/h1-2,8H,3-6H2
InChIKey
UHQLUVOGSDHXTD-UHFFFAOYSA-N
Compound name
3-piperazin-1-yl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

165.10144 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10872 136.9
[M+Na]+ 188.09066 149.6
[M+NH4]+ 183.13526 143.8
[M+K]+ 204.06460 143.6
[M-H]- 164.09416 137.6
[M+Na-2H]- 186.07611 144.6
[M]+ 165.10089 138.6
[M]- 165.10199 138.6
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