CID 202352

2-cyclopentyloxyethanethiol

Structural Information

Molecular Formula
C7H14OS
SMILES
C1CCC(C1)OCCS
InChI
InChI=1S/C7H14OS/c9-6-5-8-7-3-1-2-4-7/h7,9H,1-6H2
InChIKey
IXLAMFCEGHIAON-UHFFFAOYSA-N
Compound name
2-cyclopentyloxyethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

146.07654 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08382 131.6
[M+Na]+ 169.06576 141.1
[M+NH4]+ 164.11036 141.5
[M+K]+ 185.03970 134.5
[M-H]- 145.06926 133.6
[M+Na-2H]- 167.05121 135.6
[M]+ 146.07599 133.8
[M]- 146.07709 133.8
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