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]+ 147.08382 125.9
[M+Na]+ 169.06576 130.8
[M-H]- 145.06926 127.9
[M+NH4]+ 164.11036 140.7
[M+K]+ 185.03970 132.0
[M+H-H2O]+ 129.07380 115.5
[M+HCOO]- 191.07474 140.9
[M+CH3COO]- 205.09039 176.1
[M+Na-2H]- 167.05121 127.6
[M]+ 146.07599 135.1
[M]- 146.07709 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.