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]+ 194.048156 135.7
[M+Na]+ 216.030098 140.8
[M-H]- 192.033604 136.3
[M+NH4]+ 211.074703 146.6
[M+K]+ 232.004038 142.7
[M+H-H2O]+ 176.038140 124.4
[M+HCOO]- 238.039081 148.2
[M+CH3COO]- 252.054731 180.3
[M+Na-2H]- 214.015546 137.3
[M]+ 193.04033142 145.8
[M]- 193.04142858 145.8
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.