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 169.6
[M+Na]+ 311.18557 174.0
[M-H]- 287.18907 173.6
[M+NH4]+ 306.23017 185.9
[M+K]+ 327.15951 166.0
[M+H-H2O]+ 271.19361 165.5
[M+HCOO]- 333.19455 188.3
[M+CH3COO]- 347.21020 201.0
[M+Na-2H]- 309.17102 176.6
[M]+ 288.19580 170.5
[M]- 288.19690 170.5
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.