CID 49657923

1219828-33-7

Structural Information

Molecular Formula
C6H11NO4S
SMILES
CCS(=O)(=O)N1CC(C1)C(=O)O
InChI
InChI=1S/C6H11NO4S/c1-2-12(10,11)7-3-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKey
GSAXUQYIQDBQMC-UHFFFAOYSA-N
Compound name
1-ethylsulfonylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04088 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04816 139.6
[M+Na]+ 216.03010 143.0
[M+NH4]+ 211.07470 141.2
[M+K]+ 232.00404 141.1
[M-H]- 192.03360 134.2
[M+Na-2H]- 214.01555 138.5
[M]+ 193.04033 137.4
[M]- 193.04143 137.4
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.