CID 155970635

3-methanesulfonylazetidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C5H9NO4S
SMILES
CS(=O)(=O)C1(CNC1)C(=O)O
InChI
InChI=1S/C5H9NO4S/c1-11(9,10)5(4(7)8)2-6-3-5/h6H,2-3H2,1H3,(H,7,8)
InChIKey
RJQMGLKMFGYTOB-UHFFFAOYSA-N
Compound name
3-methylsulfonylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02522 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03250 136.1
[M+Na]+ 202.01444 138.9
[M+NH4]+ 197.05904 138.8
[M+K]+ 217.98838 135.8
[M-H]- 178.01794 130.1
[M+Na-2H]- 199.99989 136.6
[M]+ 179.02467 133.7
[M]- 179.02577 133.7
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.