CID 3065015

106300-05-4

Structural Information

Molecular Formula
C18H40N4
SMILES
C[N+]1(CCN(CC1)CCCCCCN2CC[N+](CC2)(C)C)C
InChI
InChI=1S/C18H40N4/c1-21(2)15-11-19(12-16-21)9-7-5-6-8-10-20-13-17-22(3,4)18-14-20/h5-18H2,1-4H3/q+2
InChIKey
BOODVADEODPKJS-UHFFFAOYSA-N
Compound name
4-[6-(4,4-dimethylpiperazin-4-ium-1-yl)hexyl]-1,1-dimethylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.3253 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.33258 178.6
[M+Na]+ 335.31452 180.6
[M-H]- 311.31802 178.0
[M+NH4]+ 330.35912 191.2
[M+K]+ 351.28846 166.6
[M+H-H2O]+ 295.32256 173.5
[M+HCOO]- 357.32350 186.7
[M+CH3COO]- 371.33915 196.5
[M+Na-2H]- 333.29997 184.1
[M]+ 312.32475 170.6
[M]- 312.32585 170.6
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.