CID 12296696

2803862-72-6

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

5
Patents

165.10144 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.108716 138.2
[M+Na]+ 188.090658 144.4
[M-H]- 164.094164 135.7
[M+NH4]+ 183.135263 150.4
[M+K]+ 204.064598 140.8
[M+H-H2O]+ 148.098700 127.6
[M+HCOO]- 210.099641 152.1
[M+CH3COO]- 224.115291 148.0
[M+Na-2H]- 186.076106 146.3
[M]+ 165.10089142 131.1
[M]- 165.10198858 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