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]+ 147.083816 131.8
[M+Na]+ 169.065758 138.4
[M-H]- 145.069264 135.1
[M+NH4]+ 164.110363 155.6
[M+K]+ 185.039698 137.5
[M+H-H2O]+ 129.073800 126.8
[M+HCOO]- 191.074741 149.8
[M+CH3COO]- 205.090391 172.2
[M+Na-2H]- 167.051206 133.2
[M]+ 146.07599142 132.6
[M]- 146.07708858 132.6
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