CID 48513

66941-43-3

Structural Information

Molecular Formula
C20H34NO3
SMILES
CC[N+](CC)(CC)CC(C)(C)COC(=O)C(CO)C1=CC=CC=C1
InChI
InChI=1S/C20H34NO3/c1-6-21(7-2,8-3)15-20(4,5)16-24-19(23)18(14-22)17-12-10-9-11-13-17/h9-13,18,22H,6-8,14-16H2,1-5H3/q+1
InChIKey
NORJSYIVTRIDSU-UHFFFAOYSA-N
Compound name
triethyl-[3-(3-hydroxy-2-phenylpropanoyl)oxy-2,2-dimethylpropyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.25388 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.26116 182.9
[M+Na]+ 359.24310 192.9
[M+NH4]+ 354.28770 189.5
[M+K]+ 375.21704 188.6
[M-H]- 335.24660 184.6
[M+Na-2H]- 357.22855 187.5
[M]+ 336.25333 185.1
[M]- 336.25443 185.1
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.