CID 64260669

1-(propane-2-sulfonyl)azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C7H13NO4S
SMILES
CC(C)S(=O)(=O)N1CC(C1)C(=O)O
InChI
InChI=1S/C7H13NO4S/c1-5(2)13(11,12)8-3-6(4-8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKey
LUETYMLEAQREEP-UHFFFAOYSA-N
Compound name
1-propan-2-ylsulfonylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05653 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063806 141.2
[M+Na]+ 230.045748 145.5
[M-H]- 206.049254 141.6
[M+NH4]+ 225.090353 151.4
[M+K]+ 246.019688 147.7
[M+H-H2O]+ 190.053790 129.7
[M+HCOO]- 252.054731 152.3
[M+CH3COO]- 266.070381 184.1
[M+Na-2H]- 228.031196 141.2
[M]+ 207.05598142 151.0
[M]- 207.05707858 151.0
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.