CID 58737

101699-48-3

Structural Information

Molecular Formula
C20H34NO2
SMILES
CCC(C)C(C1=CC=CC=C1)C(=O)OCC(C)(C)C[N+](C)(C)C
InChI
InChI=1S/C20H34NO2/c1-8-16(2)18(17-12-10-9-11-13-17)19(22)23-15-20(3,4)14-21(5,6)7/h9-13,16,18H,8,14-15H2,1-7H3/q+1
InChIKey
WIXOREMWYVDYLO-UHFFFAOYSA-N
Compound name
[2,2-dimethyl-3-(3-methyl-2-phenylpentanoyl)oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.25894 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.26622 179.5
[M+Na]+ 343.24816 190.2
[M+NH4]+ 338.29276 186.9
[M+K]+ 359.22210 185.9
[M-H]- 319.25166 182.1
[M+Na-2H]- 341.23361 184.8
[M]+ 320.25839 182.1
[M]- 320.25949 182.1
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.