CID 217180

1-((2-naphthylsulfinyl)methyl)cyclohexanol

Structural Information

Molecular Formula
C17H20O2S
SMILES
C1CCC(CC1)(CS(=O)C2=CC3=CC=CC=C3C=C2)O
InChI
InChI=1S/C17H20O2S/c18-17(10-4-1-5-11-17)13-20(19)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,18H,1,4-5,10-11,13H2
InChIKey
FTVDJXULJFVIKQ-UHFFFAOYSA-N
Compound name
1-(naphthalen-2-ylsulfinylmethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1184 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12568 165.2
[M+Na]+ 311.10762 170.4
[M-H]- 287.11112 170.3
[M+NH4]+ 306.15222 183.0
[M+K]+ 327.08156 165.4
[M+H-H2O]+ 271.11566 158.3
[M+HCOO]- 333.11660 177.2
[M+CH3COO]- 347.13225 175.2
[M+Na-2H]- 309.09307 168.4
[M]+ 288.11785 162.7
[M]- 288.11895 162.7
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.