CID 216575

37457-09-3

Structural Information

Molecular Formula
C17H27NOS
SMILES
CN(C)CCCC1(CCCCC1SC2=CC=CC=C2)O
InChI
InChI=1S/C17H27NOS/c1-18(2)14-8-13-17(19)12-7-6-11-16(17)20-15-9-4-3-5-10-15/h3-5,9-10,16,19H,6-8,11-14H2,1-2H3
InChIKey
PEKSNELRDZFZJS-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-2-phenylsulfanylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.18134 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18862 169.7
[M+Na]+ 316.17056 180.0
[M+NH4]+ 311.21516 180.2
[M+K]+ 332.14450 168.6
[M-H]- 292.17406 174.8
[M+Na-2H]- 314.15601 177.8
[M]+ 293.18079 173.2
[M]- 293.18189 173.2
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.