CID 59203493

3-(methylsulfanyl)cyclopentan-1-one

Structural Information

Molecular Formula
C6H10OS
SMILES
CSC1CCC(=O)C1
InChI
InChI=1S/C6H10OS/c1-8-6-3-2-5(7)4-6/h6H,2-4H2,1H3
InChIKey
HNXDUCKJAPPFNF-UHFFFAOYSA-N
Compound name
3-methylsulfanylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

130.04524 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.05252 125.6
[M+Na]+ 153.03446 133.8
[M-H]- 129.03796 129.5
[M+NH4]+ 148.07906 150.2
[M+K]+ 169.00840 132.5
[M+H-H2O]+ 113.04250 121.2
[M+HCOO]- 175.04344 144.1
[M+CH3COO]- 189.05909 169.3
[M+Na-2H]- 151.01991 126.9
[M]+ 130.04469 125.8
[M]- 130.04579 125.8
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

patents stripe