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 168.3
[M+Na]+ 301.20122 172.4
[M-H]- 277.20472 171.4
[M+NH4]+ 296.24582 184.2
[M+K]+ 317.17516 164.6
[M+H-H2O]+ 261.20926 164.6
[M+HCOO]- 323.21020 187.9
[M+CH3COO]- 337.22585 199.6
[M+Na-2H]- 299.18667 172.6
[M]+ 278.21145 169.4
[M]- 278.21255 169.4
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.