CID 43179

Dimethyl(m-hydroxyphenyl)octylammonium iodide

Structural Information

Molecular Formula
C16H28NO
SMILES
CCCCCCCC[N+](C)(C)C1=CC(=CC=C1)O
InChI
InChI=1S/C16H27NO/c1-4-5-6-7-8-9-13-17(2,3)15-11-10-12-16(18)14-15/h10-12,14H,4-9,13H2,1-3H3/p+1
InChIKey
BEZLMTUEDJMVTK-UHFFFAOYSA-O
Compound name
(3-hydroxyphenyl)-dimethyl-octylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.21709 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.22437 162.1
[M+Na]+ 273.20631 166.9
[M-H]- 249.20981 165.2
[M+NH4]+ 268.25091 179.4
[M+K]+ 289.18025 158.5
[M+H-H2O]+ 233.21435 158.5
[M+HCOO]- 295.21529 183.6
[M+CH3COO]- 309.23094 194.2
[M+Na-2H]- 271.19176 169.2
[M]+ 250.21654 163.5
[M]- 250.21764 163.5
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.