CID 119057001

4-(methanesulfonylmethyl)cyclohexan-1-one

Structural Information

Molecular Formula
C8H14O3S
SMILES
CS(=O)(=O)CC1CCC(=O)CC1
InChI
InChI=1S/C8H14O3S/c1-12(10,11)6-7-2-4-8(9)5-3-7/h7H,2-6H2,1H3
InChIKey
VGYRBVCJFWJEJB-UHFFFAOYSA-N
Compound name
4-(methylsulfonylmethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

190.06636 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.073636 138.4
[M+Na]+ 213.055578 145.1
[M-H]- 189.059084 141.7
[M+NH4]+ 208.100183 158.5
[M+K]+ 229.029518 143.3
[M+H-H2O]+ 173.063620 133.5
[M+HCOO]- 235.064561 153.4
[M+CH3COO]- 249.080211 178.3
[M+Na-2H]- 211.041026 141.2
[M]+ 190.06581142 138.1
[M]- 190.06690858 138.1
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

patents stripe