CID 6433324

(3-hydroxy-3-(2-thienyl)-5-hexenyl)trimethylammonium iodide

Structural Information

Molecular Formula
C13H22NOS
SMILES
C/C=C/C(CC[N+](C)(C)C)(C1=CC=CS1)O
InChI
InChI=1S/C13H22NOS/c1-5-8-13(15,9-10-14(2,3)4)12-7-6-11-16-12/h5-8,11,15H,9-10H2,1-4H3/q+1/b8-5+
InChIKey
WDTMXKWYOMSNBG-VMPITWQZSA-N
Compound name
[(E)-3-hydroxy-3-thiophen-2-ylhex-4-enyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.14221 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14949 156.0
[M+Na]+ 263.13143 166.4
[M+NH4]+ 258.17603 165.2
[M+K]+ 279.10537 161.2
[M-H]- 239.13493 158.7
[M+Na-2H]- 261.11688 161.2
[M]+ 240.14166 159.1
[M]- 240.14276 159.1
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.