CID 75525557

1-[(cyclopentylmethyl)sulfanyl]ethan-1-one

Structural Information

Molecular Formula
C8H14OS
SMILES
CC(=O)SCC1CCCC1
InChI
InChI=1S/C8H14OS/c1-7(9)10-6-8-4-2-3-5-8/h8H,2-6H2,1H3
InChIKey
ZYVWJBRFIFPYKI-UHFFFAOYSA-N
Compound name
S-(cyclopentylmethyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.07654 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.083816 136.3
[M+Na]+ 181.065758 142.5
[M-H]- 157.069264 139.6
[M+NH4]+ 176.110363 159.5
[M+K]+ 197.039698 141.2
[M+H-H2O]+ 141.073800 131.3
[M+HCOO]- 203.074741 153.1
[M+CH3COO]- 217.090391 174.4
[M+Na-2H]- 179.051206 136.0
[M]+ 158.07599142 136.1
[M]- 158.07708858 136.1
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.