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

3
Patents

132.06088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.068156 127.1
[M+Na]+ 155.050098 134.5
[M-H]- 131.053604 129.5
[M+NH4]+ 150.094703 151.0
[M+K]+ 171.024038 132.9
[M+H-H2O]+ 115.058140 122.8
[M+HCOO]- 177.059081 143.9
[M+CH3COO]- 191.074731 167.5
[M+Na-2H]- 153.035546 128.0
[M]+ 132.06033142 126.1
[M]- 132.06142858 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