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]+ 302.105676 165.3
[M+Na]+ 324.087618 171.6
[M-H]- 300.091124 168.2
[M+NH4]+ 319.132223 178.6
[M+K]+ 340.061558 169.3
[M+H-H2O]+ 284.095660 159.0
[M+HCOO]- 346.096601 175.4
[M+CH3COO]- 360.112251 192.9
[M+Na-2H]- 322.073066 169.7
[M]+ 301.09785142 166.0
[M]- 301.09894858 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.