CID 106487

8gul43w0bh

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
3
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]+ 399.467276 254.2
[M+Na]+ 421.449218 261.8
[M-H]- 397.452724 245.3
[M+NH4]+ 416.493823 253.3
[M+K]+ 437.423158 256.4
[M+H-H2O]+ 381.457260 208.7
[M+HCOO]- 443.458201 273.5
[M+CH3COO]- 457.473851 231.0
[M+Na-2H]- 419.434666 215.4
[M]+ 398.45945142 254.4
[M]- 398.46054858 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