CID 64717588

3-methanesulfonylcyclohexan-1-ol

Structural Information

Molecular Formula
C7H14O3S
SMILES
CS(=O)(=O)C1CCCC(C1)O
InChI
InChI=1S/C7H14O3S/c1-11(9,10)7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3
InChIKey
QXLWUYPXQYJLNB-UHFFFAOYSA-N
Compound name
3-methylsulfonylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.06636 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07364 135.7
[M+Na]+ 201.05558 142.1
[M-H]- 177.05908 137.7
[M+NH4]+ 196.10018 155.6
[M+K]+ 217.02952 140.2
[M+H-H2O]+ 161.06362 131.2
[M+HCOO]- 223.06456 149.2
[M+CH3COO]- 237.08021 173.5
[M+Na-2H]- 199.04103 138.5
[M]+ 178.06581 133.8
[M]- 178.06691 133.8
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.