CID 137935344

3-(methylsulfanyl)cyclopentan-1-ol

Structural Information

Molecular Formula
C6H12OS
SMILES
CSC1CCC(C1)O
InChI
InChI=1S/C6H12OS/c1-8-6-3-2-5(7)4-6/h5-7H,2-4H2,1H3
InChIKey
YQNSUZPVRDPCDD-UHFFFAOYSA-N
Compound name
3-methylsulfanylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

132.06088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06816 127.1
[M+Na]+ 155.05010 136.6
[M+NH4]+ 150.09470 136.8
[M+K]+ 171.02404 130.7
[M-H]- 131.05360 128.6
[M+Na-2H]- 153.03555 130.6
[M]+ 132.06033 129.2
[M]- 132.06143 129.2
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