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

68
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 268.7
[M+Na]+ 477.51182 275.5
[M-H]- 453.51532 258.4
[M+NH4]+ 472.55642 267.6
[M+K]+ 493.48576 271.7
[M+H-H2O]+ 437.51986 255.2
[M+HCOO]- 499.52080 286.5
[M+CH3COO]- 513.53645 242.6
[M+Na-2H]- 475.49727 252.8
[M]+ 454.52205 268.1
[M]- 454.52315 268.1
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