CID 3064904

N-(2-hydroxy-3-(2-(2-propenyl)phenoxy)propyl)-n,n-dimethyl-2-propen-1-aminium bromide

Structural Information

Molecular Formula
C17H26NO2
SMILES
C[N+](C)(CC=C)CC(COC1=CC=CC=C1CC=C)O
InChI
InChI=1S/C17H26NO2/c1-5-9-15-10-7-8-11-17(15)20-14-16(19)13-18(3,4)12-6-2/h5-8,10-11,16,19H,1-2,9,12-14H2,3-4H3/q+1
InChIKey
FKWAXKZBUZPPES-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.19635 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.20363 167.4
[M+Na]+ 299.18557 172.0
[M-H]- 275.18907 170.4
[M+NH4]+ 294.23017 183.3
[M+K]+ 315.15951 163.1
[M+H-H2O]+ 259.19361 163.6
[M+HCOO]- 321.19455 188.1
[M+CH3COO]- 335.21020 197.8
[M+Na-2H]- 297.17102 172.9
[M]+ 276.19580 168.4
[M]- 276.19690 168.4
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.