CID 3064894

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

Structural Information

Molecular Formula
C18H26NO2
SMILES
CC(C)[N+](C)(C)CC(COC1=CC2=CC=CC=C2C=C1)O
InChI
InChI=1S/C18H26NO2/c1-14(2)19(3,4)12-17(20)13-21-18-10-9-15-7-5-6-8-16(15)11-18/h5-11,14,17,20H,12-13H2,1-4H3/q+1
InChIKey
CJHVSQGLLNAXIL-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-naphthalen-2-yloxypropyl)-dimethyl-propan-2-ylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.19635 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20363 167.3
[M+Na]+ 311.18557 180.9
[M+NH4]+ 306.23017 176.7
[M+K]+ 327.15951 174.9
[M-H]- 287.18907 171.9
[M+Na-2H]- 309.17102 174.4
[M]+ 288.19580 171.0
[M]- 288.19690 171.0
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.