CID 3044044

Alpha-(4-(methylsulfonyl)phenyl)-4-morpholineethanol maleate

Structural Information

Molecular Formula
C13H19NO4S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(CN2CCOCC2)O
InChI
InChI=1S/C13H19NO4S/c1-19(16,17)12-4-2-11(3-5-12)13(15)10-14-6-8-18-9-7-14/h2-5,13,15H,6-10H2,1H3
InChIKey
UZFQMWWWPXVTDO-UHFFFAOYSA-N
Compound name
1-(4-methylsulfonylphenyl)-2-morpholin-4-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1035 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11078 162.5
[M+Na]+ 308.09272 167.5
[M-H]- 284.09622 166.5
[M+NH4]+ 303.13732 174.9
[M+K]+ 324.06666 165.5
[M+H-H2O]+ 268.10076 155.3
[M+HCOO]- 330.10170 173.0
[M+CH3COO]- 344.11735 193.2
[M+Na-2H]- 306.07817 165.0
[M]+ 285.10295 162.1
[M]- 285.10405 162.1
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.