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]+ 277.203626 167.4
[M+Na]+ 299.185568 172.0
[M-H]- 275.189074 170.4
[M+NH4]+ 294.230173 183.3
[M+K]+ 315.159508 163.1
[M+H-H2O]+ 259.193610 163.6
[M+HCOO]- 321.194551 188.1
[M+CH3COO]- 335.210201 197.8
[M+Na-2H]- 297.171016 172.9
[M]+ 276.19580142 168.4
[M]- 276.19689858 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.