CID 104959533

1598224-29-3

Structural Information

Molecular Formula
C8H17NO4S
SMILES
C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)CCO
InChI
InChI=1S/C8H17NO4S/c1-7-5-9(6-8(2)13-7)14(11,12)4-3-10/h7-8,10H,3-6H2,1-2H3/t7-,8+
InChIKey
LWOZWVAAAZRALO-OCAPTIKFSA-N
Compound name
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08783 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09511 148.8
[M+Na]+ 246.07705 157.7
[M+NH4]+ 241.12165 154.9
[M+K]+ 262.05099 152.8
[M-H]- 222.08055 148.6
[M+Na-2H]- 244.06250 150.0
[M]+ 223.08728 150.2
[M]- 223.08838 150.2
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

No patent data available for this compound.