CID 155820741

2354817-94-8

Structural Information

Molecular Formula
C7H14OS
SMILES
CSCCC1CC(C1)O
InChI
InChI=1S/C7H14OS/c1-9-3-2-6-4-7(8)5-6/h6-8H,2-5H2,1H3
InChIKey
JLZMCHHDYBXMSU-UHFFFAOYSA-N
Compound name
3-(2-methylsulfanylethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.07654 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.083816 125.9
[M+Na]+ 169.065758 130.8
[M-H]- 145.069264 127.9
[M+NH4]+ 164.110363 140.7
[M+K]+ 185.039698 132.0
[M+H-H2O]+ 129.073800 115.5
[M+HCOO]- 191.074741 140.9
[M+CH3COO]- 205.090391 176.1
[M+Na-2H]- 167.051206 127.6
[M]+ 146.07599142 135.1
[M]- 146.07708858 135.1
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

No patent data available for this compound.