CID 43181

Dimethyl(m-hydroxyphenyl)octyloxymethylammonium chloride

Structural Information

Molecular Formula
C17H30NO2
SMILES
CCCCCCCCOC[N+](C)(C)C1=CC(=CC=C1)O
InChI
InChI=1S/C17H29NO2/c1-4-5-6-7-8-9-13-20-15-18(2,3)16-11-10-12-17(19)14-16/h10-12,14H,4-9,13,15H2,1-3H3/p+1
InChIKey
IRKGLUQQZAPCNQ-UHFFFAOYSA-O
Compound name
(3-hydroxyphenyl)-dimethyl-(octoxymethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.22766 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.23494 168.6
[M+Na]+ 303.21688 181.1
[M+NH4]+ 298.26148 177.1
[M+K]+ 319.19082 174.3
[M-H]- 279.22038 172.4
[M+Na-2H]- 301.20233 175.0
[M]+ 280.22711 171.9
[M]- 280.22821 171.9
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.