CID 155820746

3-(methanesulfonylmethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C6H12O3S
SMILES
CS(=O)(=O)CC1CC(C1)O
InChI
InChI=1S/C6H12O3S/c1-10(8,9)4-5-2-6(7)3-5/h5-7H,2-4H2,1H3
InChIKey
DBLXENLKUFTUMS-UHFFFAOYSA-N
Compound name
3-(methylsulfonylmethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

164.05072 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05800 127.8
[M+Na]+ 187.03994 133.4
[M-H]- 163.04344 130.0
[M+NH4]+ 182.08454 141.6
[M+K]+ 203.01388 134.9
[M+H-H2O]+ 147.04798 117.7
[M+HCOO]- 209.04892 142.3
[M+CH3COO]- 223.06457 175.8
[M+Na-2H]- 185.02539 130.7
[M]+ 164.05017 137.5
[M]- 164.05127 137.5
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