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

357
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 153.8
[M+Na]+ 271.13902 166.0
[M+NH4]+ 266.18362 158.7
[M+K]+ 287.11296 164.6
[M-H]- 247.14252 153.8
[M+Na-2H]- 269.12447 161.4
[M]+ 248.14925 155.2
[M]- 248.15035 155.2
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