CID 4962731

3-(morpholine-4-sulfonyl)propanoic acid

Structural Information

Molecular Formula
C7H13NO5S
SMILES
C1COCCN1S(=O)(=O)CCC(=O)O
InChI
InChI=1S/C7H13NO5S/c9-7(10)1-6-14(11,12)8-2-4-13-5-3-8/h1-6H2,(H,9,10)
InChIKey
BXZBRLVPYVFGDN-UHFFFAOYSA-N
Compound name
3-morpholin-4-ylsulfonylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

223.05144 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05872 144.6
[M+Na]+ 246.04066 149.9
[M-H]- 222.04416 145.4
[M+NH4]+ 241.08526 159.4
[M+K]+ 262.01460 149.7
[M+H-H2O]+ 206.04870 138.7
[M+HCOO]- 268.04964 155.9
[M+CH3COO]- 282.06529 179.4
[M+Na-2H]- 244.02611 148.3
[M]+ 223.05089 144.9
[M]- 223.05199 144.9
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.