CID 225093

41326-54-9

Structural Information

Molecular Formula
C6H12OS
SMILES
CSC1CCCC1O
InChI
InChI=1S/C6H12OS/c1-8-6-4-2-3-5(6)7/h5-7H,2-4H2,1H3
InChIKey
DTDFOIDPSQGYOX-UHFFFAOYSA-N
Compound name
2-methylsulfanylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 134.5
[M-H]- 131.05360 129.5
[M+NH4]+ 150.09470 151.0
[M+K]+ 171.02404 132.9
[M+H-H2O]+ 115.05814 122.8
[M+HCOO]- 177.05908 143.9
[M+CH3COO]- 191.07473 167.5
[M+Na-2H]- 153.03555 128.0
[M]+ 132.06033 126.1
[M]- 132.06143 126.1
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

patents stripe