CID 5369084

1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol

Structural Information

Molecular Formula
C11H18OS
SMILES
C/C(=C\SC)/CC1(CCCC=C1)O
InChI
InChI=1S/C11H18OS/c1-10(9-13-2)8-11(12)6-4-3-5-7-11/h4,6,9,12H,3,5,7-8H2,1-2H3/b10-9+
InChIKey
IFXHKNKBGMLXEH-MDZDMXLPSA-N
Compound name
1-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10783 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11511 146.1
[M+Na]+ 221.09705 156.0
[M+NH4]+ 216.14165 156.3
[M+K]+ 237.07099 145.7
[M-H]- 197.10055 147.7
[M+Na-2H]- 219.08250 151.8
[M]+ 198.10728 148.5
[M]- 198.10838 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.