CID 2760673

59215-44-0

Structural Information

Molecular Formula
C7H11N5
SMILES
C1CN(CCN1)C2=NC=NC=N2
InChI
InChI=1S/C7H11N5/c1-3-12(4-2-8-1)7-10-5-9-6-11-7/h5-6,8H,1-4H2
InChIKey
QKOFSFOOALTCPW-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

151
Patents

165.10144 Da
Monoisotopic Mass

-0.2
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

literature stripe

Patent stripe

patents stripe