CID 3044044

4-morpholineethanol, alpha-(4-(methylsulfonyl)phenyl)-, (z)-2-butenedioate (1:1)

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]+ 286.110776 162.5
[M+Na]+ 308.092718 167.5
[M-H]- 284.096224 166.5
[M+NH4]+ 303.137323 174.9
[M+K]+ 324.066658 165.5
[M+H-H2O]+ 268.100760 155.3
[M+HCOO]- 330.101701 173.0
[M+CH3COO]- 344.117351 193.2
[M+Na-2H]- 306.078166 165.0
[M]+ 285.10295142 162.1
[M]- 285.10404858 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.