CID 64728269

4-(cyclopentylsulfanyl)pentan-2-one

Structural Information

Molecular Formula
C10H18OS
SMILES
CC(CC(=O)C)SC1CCCC1
InChI
InChI=1S/C10H18OS/c1-8(11)7-9(2)12-10-5-3-4-6-10/h9-10H,3-7H2,1-2H3
InChIKey
BRYQGPNTQLFIIC-UHFFFAOYSA-N
Compound name
4-cyclopentylsulfanylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.10783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11511 145.5
[M+Na]+ 209.09705 150.4
[M-H]- 185.10055 148.5
[M+NH4]+ 204.14165 167.4
[M+K]+ 225.07099 149.1
[M+H-H2O]+ 169.10509 140.2
[M+HCOO]- 231.10603 160.6
[M+CH3COO]- 245.12168 181.9
[M+Na-2H]- 207.08250 143.1
[M]+ 186.10728 145.5
[M]- 186.10838 145.5
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.