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 136.3
[M+Na]+ 200.07157 142.4
[M-H]- 176.07507 139.0
[M+NH4]+ 195.11617 156.3
[M+K]+ 216.04551 140.3
[M+H-H2O]+ 160.07961 131.2
[M+HCOO]- 222.08055 151.4
[M+CH3COO]- 236.09620 178.2
[M+Na-2H]- 198.05702 138.7
[M]+ 177.08180 133.0
[M]- 177.08290 133.0
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.