CID 30864

21949-04-2

Structural Information

Molecular Formula
C28H62N2
SMILES
CCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCCCC
InChI
InChI=1S/C28H62N2/c1-7-9-11-13-15-17-21-25-29(3,4)27-23-19-20-24-28-30(5,6)26-22-18-16-14-12-10-8-2/h7-28H2,1-6H3/q+2
InChIKey
LISOYBKHVSEDQG-UHFFFAOYSA-N
Compound name
6-[dimethyl(nonyl)azaniumyl]hexyl-dimethyl-nonylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.4913 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.49858 261.5
[M+Na]+ 449.48052 268.7
[M-H]- 425.48402 251.9
[M+NH4]+ 444.52512 260.5
[M+K]+ 465.45446 264.1
[M+H-H2O]+ 409.48856 248.2
[M+HCOO]- 471.48950 280.0
[M+CH3COO]- 485.50515 236.8
[M+Na-2H]- 447.46597 246.6
[M]+ 426.49075 261.3
[M]- 426.49185 261.3
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.