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]+ 159.08382 136.3
[M+Na]+ 181.06576 142.5
[M-H]- 157.06926 139.6
[M+NH4]+ 176.11036 159.5
[M+K]+ 197.03970 141.2
[M+H-H2O]+ 141.07380 131.3
[M+HCOO]- 203.07474 153.1
[M+CH3COO]- 217.09039 174.4
[M+Na-2H]- 179.05121 136.0
[M]+ 158.07599 136.1
[M]- 158.07709 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.