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 170.4
[M+Na]+ 303.21688 174.7
[M-H]- 279.22038 173.2
[M+NH4]+ 298.26148 186.4
[M+K]+ 319.19082 166.4
[M+H-H2O]+ 263.22492 166.3
[M+HCOO]- 325.22586 191.7
[M+CH3COO]- 339.24151 199.2
[M+Na-2H]- 301.20233 177.0
[M]+ 280.22711 173.5
[M]- 280.22821 173.5
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.