CID 52271229

1807939-51-0

Structural Information

Molecular Formula
C7H15NO2S
SMILES
CS(=O)(=O)[C@@H]1CCCC[C@H]1N
InChI
InChI=1S/C7H15NO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h6-7H,2-5,8H2,1H3/t6-,7-/m1/s1
InChIKey
MBOUYTIVZNSOKX-RNFRBKRXSA-N
Compound name
(1R,2R)-2-methylsulfonylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.08235 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08963 137.1
[M+Na]+ 200.07157 145.6
[M+NH4]+ 195.11617 145.2
[M+K]+ 216.04551 139.5
[M-H]- 176.07507 138.1
[M+Na-2H]- 198.05702 140.6
[M]+ 177.08180 138.8
[M]- 177.08290 138.8
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.