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 165.3
[M+Na]+ 324.08762 171.6
[M-H]- 300.09112 168.2
[M+NH4]+ 319.13222 178.6
[M+K]+ 340.06156 169.3
[M+H-H2O]+ 284.09566 159.0
[M+HCOO]- 346.09660 175.4
[M+CH3COO]- 360.11225 192.9
[M+Na-2H]- 322.07307 169.7
[M]+ 301.09785 166.0
[M]- 301.09895 166.0
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.