CID 114958899

1-sulfamoylazetidine-3-carboxylic acid

Structural Information

Molecular Formula
C4H8N2O4S
SMILES
C1C(CN1S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C4H8N2O4S/c5-11(9,10)6-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8)(H2,5,9,10)
InChIKey
PPGITWUVHJXSLS-UHFFFAOYSA-N
Compound name
1-sulfamoylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.02048 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02776 133.2
[M+Na]+ 203.00970 137.9
[M-H]- 179.01320 133.3
[M+NH4]+ 198.05430 143.8
[M+K]+ 218.98364 139.9
[M+H-H2O]+ 163.01774 121.2
[M+HCOO]- 225.01868 146.4
[M+CH3COO]- 239.03433 178.8
[M+Na-2H]- 200.99515 134.9
[M]+ 180.01993 140.6
[M]- 180.02103 140.6
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.