CID 377589

1,4-bis(1,4-dicyano-2-butyl)piperazine

Structural Information

Molecular Formula
C16H22N6
SMILES
C1CN(CCN1C(CCC#N)CC#N)C(CCC#N)CC#N
InChI
InChI=1S/C16H22N6/c17-7-1-3-15(5-9-19)21-11-13-22(14-12-21)16(6-10-20)4-2-8-18/h15-16H,1-6,11-14H2
InChIKey
LGQVPACUGWLKCJ-UHFFFAOYSA-N
Compound name
3-[4-(1,4-dicyanobutan-2-yl)piperazin-1-yl]hexanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.19058 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.19786 161.2
[M+Na]+ 321.17980 164.6
[M-H]- 297.18330 163.7
[M+NH4]+ 316.22440 163.6
[M+K]+ 337.15374 162.9
[M+H-H2O]+ 281.18784 152.2
[M+HCOO]- 343.18878 161.1
[M+CH3COO]- 357.20443 249.7
[M+Na-2H]- 319.16525 158.2
[M]+ 298.19003 155.4
[M]- 298.19113 155.4
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

No patent data available for this compound.