CID 6433178

(3-hydroxy-3-(p-methoxyphenyl)-5-hexenyl)trimethylammonium iodide

Structural Information

Molecular Formula
C16H26NO2
SMILES
C/C=C/C(CC[N+](C)(C)C)(C1=CC=C(C=C1)OC)O
InChI
InChI=1S/C16H26NO2/c1-6-11-16(18,12-13-17(2,3)4)14-7-9-15(19-5)10-8-14/h6-11,18H,12-13H2,1-5H3/q+1/b11-6+
InChIKey
UAROTAKMNMGTQW-IZZDOVSWSA-N
Compound name
[(E)-3-hydroxy-3-(4-methoxyphenyl)hex-4-enyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.19635 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.20363 163.1
[M+Na]+ 287.18557 168.7
[M-H]- 263.18907 166.7
[M+NH4]+ 282.23017 179.9
[M+K]+ 303.15951 160.7
[M+H-H2O]+ 247.19361 160.1
[M+HCOO]- 309.19455 183.5
[M+CH3COO]- 323.21020 194.8
[M+Na-2H]- 285.17102 171.5
[M]+ 264.19580 164.6
[M]- 264.19690 164.6
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.