CID 11971525

2-hydroxy-2-(p-(methylsulfonyl)phenyl)-4-morpholineethanol hydrochloride

Structural Information

Molecular Formula
C13H19NO5S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2(CN(CCO2)CCO)O
InChI
InChI=1S/C13H19NO5S/c1-20(17,18)12-4-2-11(3-5-12)13(16)10-14(6-8-15)7-9-19-13/h2-5,15-16H,6-10H2,1H3
InChIKey
DJYCWKRDBIQZFF-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-2-(4-methylsulfonylphenyl)morpholin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0984 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10568 165.6
[M+Na]+ 324.08762 175.5
[M+NH4]+ 319.13222 172.6
[M+K]+ 340.06156 168.3
[M-H]- 300.09112 167.1
[M+Na-2H]- 322.07307 170.9
[M]+ 301.09785 167.8
[M]- 301.09895 167.8
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.