CID 155822620

2358066-59-6

Structural Information

Molecular Formula
C7H12OS
SMILES
CSCCC1CC(=O)C1
InChI
InChI=1S/C7H12OS/c1-9-3-2-6-4-7(8)5-6/h6H,2-5H2,1H3
InChIKey
BENBIAUQEVYQNU-UHFFFAOYSA-N
Compound name
3-(2-methylsulfanylethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.06088 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06816 123.5
[M+Na]+ 167.05010 129.2
[M-H]- 143.05360 127.1
[M+NH4]+ 162.09470 139.1
[M+K]+ 183.02404 130.8
[M+H-H2O]+ 127.05814 113.2
[M+HCOO]- 189.05908 140.3
[M+CH3COO]- 203.07473 177.9
[M+Na-2H]- 165.03555 125.9
[M]+ 144.06033 133.9
[M]- 144.06143 133.9
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.