CID 3064900

2-hydroxy-n,n-dimethyl-n-(1-methylethyl)-3-(2-(2-propenyl)phenoxy)-1-propanaminium iodide

Structural Information

Molecular Formula
C17H28NO2
SMILES
CC(C)[N+](C)(C)CC(COC1=CC=CC=C1CC=C)O
InChI
InChI=1S/C17H28NO2/c1-6-9-15-10-7-8-11-17(15)20-13-16(19)12-18(4,5)14(2)3/h6-8,10-11,14,16,19H,1,9,12-13H2,2-5H3/q+1
InChIKey
LTPNWBALAIEAHJ-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-propan-2-ylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.212 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.21928 167.5
[M+Na]+ 301.20122 179.4
[M+NH4]+ 296.24582 175.5
[M+K]+ 317.17516 174.1
[M-H]- 277.20472 170.6
[M+Na-2H]- 299.18667 173.2
[M]+ 278.21145 170.4
[M]- 278.21255 170.4
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

No patent data available for this compound.