CID 112294

69696-98-6

Structural Information

Molecular Formula
C30H66N2
SMILES
CCCC[N+](CCCC)(CCCC)CCCCCC[N+](CCCC)(CCCC)CCCC
InChI
InChI=1S/C30H66N2/c1-7-13-23-31(24-14-8-2,25-15-9-3)29-21-19-20-22-30-32(26-16-10-4,27-17-11-5)28-18-12-6/h7-30H2,1-6H3/q+2
InChIKey
UVIBEMUZCRUQEX-UHFFFAOYSA-N
Compound name
tributyl-[6-(tributylazaniumyl)hexyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

454.5226 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.52988 252.0
[M+Na]+ 477.51182 254.9
[M+NH4]+ 472.55642 256.9
[M+K]+ 493.48576 257.7
[M-H]- 453.51532 243.9
[M+Na-2H]- 475.49727 240.1
[M]+ 454.52205 250.9
[M]- 454.52315 250.9
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