CID 29015

18283-48-2

Structural Information

Molecular Formula
C32H66N2O4
SMILES
CCCCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCCCC
InChI
InChI=1S/C32H66N2O4/c1-7-9-11-13-15-19-23-27-37-31(35)29-33(3,4)25-21-17-18-22-26-34(5,6)30-32(36)38-28-24-20-16-14-12-10-8-2/h7-30H2,1-6H3/q+2
InChIKey
FVNUSGPBGALAOG-UHFFFAOYSA-N
Compound name
6-[dimethyl-(2-nonoxy-2-oxoethyl)azaniumyl]hexyl-dimethyl-(2-nonoxy-2-oxoethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.50226 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.50954 265.4
[M+Na]+ 565.49148 272.0
[M-H]- 541.49498 261.6
[M+NH4]+ 560.53608 271.0
[M+K]+ 581.46542 269.1
[M+H-H2O]+ 525.49952 253.8
[M+HCOO]- 587.50046 279.5
[M+CH3COO]- 601.51611 251.7
[M+Na-2H]- 563.47693 250.7
[M]+ 542.50171 263.6
[M]- 542.50281 263.6
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.