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 131.8
[M+Na]+ 169.06576 138.4
[M-H]- 145.06926 135.1
[M+NH4]+ 164.11036 155.6
[M+K]+ 185.03970 137.5
[M+H-H2O]+ 129.07380 126.8
[M+HCOO]- 191.07474 149.8
[M+CH3COO]- 205.09039 172.2
[M+Na-2H]- 167.05121 133.2
[M]+ 146.07599 132.6
[M]- 146.07709 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