CID 13325777

Piperazine, 1,4-bis(1h-1,2,4-triazol-1-ylmethyl)-

Structural Information

Molecular Formula
C10H16N8
SMILES
C1CN(CCN1CN2C=NC=N2)CN3C=NC=N3
InChI
InChI=1S/C10H16N8/c1-2-16(10-18-8-12-6-14-18)4-3-15(1)9-17-7-11-5-13-17/h5-8H,1-4,9-10H2
InChIKey
WHFGLPOOBLVZRM-UHFFFAOYSA-N
Compound name
1,4-bis(1,2,4-triazol-1-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

371
Patents

248.1498 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15708 156.1
[M+Na]+ 271.13902 164.4
[M-H]- 247.14252 155.6
[M+NH4]+ 266.18362 165.1
[M+K]+ 287.11296 160.4
[M+H-H2O]+ 231.14706 142.8
[M+HCOO]- 293.14800 170.6
[M+CH3COO]- 307.16365 165.3
[M+Na-2H]- 269.12447 158.7
[M]+ 248.14925 154.3
[M]- 248.15035 154.3
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