CID 10195080

608142-27-4

Structural Information

Molecular Formula
C12H19NO4S
SMILES
CCOC1=C(C=CC(=C1)[C@H](CS(=O)(=O)C)N)OC
InChI
InChI=1S/C12H19NO4S/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15/h5-7,10H,4,8,13H2,1-3H3/t10-/m0/s1
InChIKey
BXUJVINGXQGNFD-JTQLQIEISA-N
Compound name
(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

616
Patents

273.1035 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11078 161.6
[M+Na]+ 296.09272 170.8
[M+NH4]+ 291.13732 167.6
[M+K]+ 312.06666 165.0
[M-H]- 272.09622 161.7
[M+Na-2H]- 294.07817 165.0
[M]+ 273.10295 163.2
[M]- 273.10405 163.2
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