CID 170910069

3-[(methylsulfanyl)methyl]cyclobutan-1-one

Structural Information

Molecular Formula
C6H10OS
SMILES
CSCC1CC(=O)C1
InChI
InChI=1S/C6H10OS/c1-8-4-5-2-6(7)3-5/h5H,2-4H2,1H3
InChIKey
GZAMRQDDFDBFOT-UHFFFAOYSA-N
Compound name
3-(methylsulfanylmethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.04524 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.052516 118.9
[M+Na]+ 153.034458 125.1
[M-H]- 129.037964 122.7
[M+NH4]+ 148.079063 135.1
[M+K]+ 169.008398 126.9
[M+H-H2O]+ 113.042500 108.8
[M+HCOO]- 175.043441 136.0
[M+CH3COO]- 189.059091 175.0
[M+Na-2H]- 151.019906 121.8
[M]+ 130.04469142 129.0
[M]- 130.04578858 129.0
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.