CID 125512597

3-methanesulfonylcyclobutan-1-one

Structural Information

Molecular Formula
C5H8O3S
SMILES
CS(=O)(=O)C1CC(=O)C1
InChI
InChI=1S/C5H8O3S/c1-9(7,8)5-2-4(6)3-5/h5H,2-3H2,1H3
InChIKey
MCHUSBOFAJSPDL-UHFFFAOYSA-N
Compound name
3-methylsulfonylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

148.01941 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.02669 120.6
[M+Na]+ 171.00863 127.5
[M-H]- 147.01213 124.6
[M+NH4]+ 166.05323 135.8
[M+K]+ 186.98257 129.6
[M+H-H2O]+ 131.01667 110.8
[M+HCOO]- 193.01761 137.2
[M+CH3COO]- 207.03326 174.5
[M+Na-2H]- 168.99408 124.7
[M]+ 148.01886 131.2
[M]- 148.01996 131.2
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

patents stripe