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 145.1
[M+Na]+ 221.09705 150.2
[M-H]- 197.10055 146.6
[M+NH4]+ 216.14165 166.1
[M+K]+ 237.07099 147.1
[M+H-H2O]+ 181.10509 140.4
[M+HCOO]- 243.10603 158.7
[M+CH3COO]- 257.12168 180.1
[M+Na-2H]- 219.08250 146.8
[M]+ 198.10728 143.6
[M]- 198.10838 143.6
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.