CID 10168653

220609-41-6

Structural Information

Molecular Formula
C42H84NO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C42H84NO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-39-40(38-43(3,4)5)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/q+1
InChIKey
MREGRWYAGQKWIQ-UHFFFAOYSA-N
Compound name
2,3-di(octadecanoyloxy)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

149
Patents

666.64 Da
Monoisotopic Mass

16.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.64728 281.8
[M+Na]+ 689.62922 253.1
[M+NH4]+ 684.67382 253.3
[M+K]+ 705.60316 249.6
[M-H]- 665.63272 235.5
[M+Na-2H]- 687.61467 267.5
[M]+ 666.63945 280.4
[M]- 666.64055 280.4
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