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 138.2
[M+Na]+ 188.09066 144.4
[M-H]- 164.09416 135.7
[M+NH4]+ 183.13526 150.4
[M+K]+ 204.06460 140.8
[M+H-H2O]+ 148.09870 127.6
[M+HCOO]- 210.09964 152.1
[M+CH3COO]- 224.11529 148.0
[M+Na-2H]- 186.07611 146.3
[M]+ 165.10089 131.1
[M]- 165.10199 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

patents stripe