CID 106487

68052-49-3

Structural Information

Molecular Formula
C26H58N2
SMILES
CCCC[N+](CC)(CCCC)CCCCCC[N+](CC)(CCCC)CCCC
InChI
InChI=1S/C26H58N2/c1-7-13-21-27(11-5,22-14-8-2)25-19-17-18-20-26-28(12-6,23-15-9-3)24-16-10-4/h7-26H2,1-6H3/q+2
InChIKey
COWZIEYZGQTDKY-UHFFFAOYSA-N
Compound name
dibutyl-[6-[dibutyl(ethyl)azaniumyl]hexyl]-ethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

398.46 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.46728 254.2
[M+Na]+ 421.44922 261.8
[M-H]- 397.45272 245.3
[M+NH4]+ 416.49382 253.3
[M+K]+ 437.42316 256.4
[M+H-H2O]+ 381.45726 208.7
[M+HCOO]- 443.45820 273.5
[M+CH3COO]- 457.47385 231.0
[M+Na-2H]- 419.43467 215.4
[M]+ 398.45945 254.4
[M]- 398.46055 254.4
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

patents stripe