CID 3064896

105996-43-8

Structural Information

Molecular Formula
C18H24NO2
SMILES
C[N+](C)(CC=C)CC(COC1=CC2=CC=CC=C2C=C1)O
InChI
InChI=1S/C18H24NO2/c1-4-11-19(2,3)13-17(20)14-21-18-10-9-15-7-5-6-8-16(15)12-18/h4-10,12,17,20H,1,11,13-14H2,2-3H3/q+1
InChIKey
OMGXDQFLMUCCCP-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-naphthalen-2-yloxypropyl)-dimethyl-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1807 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.18798 168.8
[M+Na]+ 309.16992 173.8
[M-H]- 285.17342 172.7
[M+NH4]+ 304.21452 185.1
[M+K]+ 325.14386 164.6
[M+H-H2O]+ 269.17796 164.6
[M+HCOO]- 331.17890 188.7
[M+CH3COO]- 345.19455 199.3
[M+Na-2H]- 307.15537 176.9
[M]+ 286.18015 169.6
[M]- 286.18125 169.6
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.