CID 29017

Preparation i-d

Structural Information

Molecular Formula
C34H70N2O4
SMILES
CCCCCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCCCCC
InChI
InChI=1S/C34H70N2O4/c1-7-9-11-13-15-17-21-25-29-39-33(37)31-35(3,4)27-23-19-20-24-28-36(5,6)32-34(38)40-30-26-22-18-16-14-12-10-8-2/h7-32H2,1-6H3/q+2
InChIKey
WGPPDIKZQAPCCK-UHFFFAOYSA-N
Compound name
(2-decoxy-2-oxoethyl)-[6-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

570.53357 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.54085 265.0
[M+Na]+ 593.52279 268.1
[M+NH4]+ 588.56739 270.5
[M+K]+ 609.49673 271.8
[M-H]- 569.52629 258.0
[M+Na-2H]- 591.50824 252.7
[M]+ 570.53302 264.6
[M]- 570.53412 264.6
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.