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]+ 180.032496 134.2
[M+Na]+ 202.014438 139.3
[M-H]- 178.017944 133.5
[M+NH4]+ 197.059043 146.6
[M+K]+ 217.988378 140.7
[M+H-H2O]+ 162.022480 124.6
[M+HCOO]- 224.023421 145.5
[M+CH3COO]- 238.039071 173.4
[M+Na-2H]- 199.999886 137.9
[M]+ 179.02467142 142.2
[M]- 179.02576858 142.2
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.