CID 78165

4432-31-9

Structural Information

Molecular Formula
C6H13NO4S
SMILES
C1COCCN1CCS(=O)(=O)O
InChI
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
InChIKey
SXGZJKUKBWWHRA-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

359
References

32501
Patents

195.05653 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06381 140.0
[M+Na]+ 218.04575 148.6
[M+NH4]+ 213.09035 146.4
[M+K]+ 234.01969 143.7
[M-H]- 194.04925 139.8
[M+Na-2H]- 216.03120 142.2
[M]+ 195.05598 141.3
[M]- 195.05708 141.3
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

patents stripe