CID 2322807

3-[4-(morpholine-4-sulfonyl)phenyl]propanoic acid

Structural Information

Molecular Formula
C13H17NO5S
SMILES
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O
InChI
InChI=1S/C13H17NO5S/c15-13(16)6-3-11-1-4-12(5-2-11)20(17,18)14-7-9-19-10-8-14/h1-2,4-5H,3,6-10H2,(H,15,16)
InChIKey
OQDIPZLKZONRKR-UHFFFAOYSA-N
Compound name
3-(4-morpholin-4-ylsulfonylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

299.08273 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09001 164.5
[M+Na]+ 322.07195 174.2
[M+NH4]+ 317.11655 170.0
[M+K]+ 338.04589 168.9
[M-H]- 298.07545 166.1
[M+Na-2H]- 320.05740 168.5
[M]+ 299.08218 166.5
[M]- 299.08328 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.