CID 125455793

3-(methylsulfanyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C5H10OS
SMILES
CSC1CC(C1)O
InChI
InChI=1S/C5H10OS/c1-7-5-2-4(6)3-5/h4-6H,2-3H2,1H3
InChIKey
KOFROXSEJKSZDG-UHFFFAOYSA-N
Compound name
3-methylsulfanylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

118.045235 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05251 116.8
[M+Na]+ 141.03445 122.6
[M-H]- 117.03796 119.2
[M+NH4]+ 136.07906 132.7
[M+K]+ 157.00839 124.3
[M+H-H2O]+ 101.04250 106.9
[M+HCOO]- 163.04344 132.5
[M+CH3COO]- 177.05909 170.3
[M+Na-2H]- 139.01990 119.6
[M]+ 118.04469 125.3
[M]- 118.04578 125.3
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

No patent data available for this compound.