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 134.2
[M+Na]+ 202.01444 139.3
[M-H]- 178.01794 133.5
[M+NH4]+ 197.05904 146.6
[M+K]+ 217.98838 140.7
[M+H-H2O]+ 162.02248 124.6
[M+HCOO]- 224.02342 145.5
[M+CH3COO]- 238.03907 173.4
[M+Na-2H]- 199.99989 137.9
[M]+ 179.02467 142.2
[M]- 179.02577 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.