CID 133361

80082-65-1

Structural Information

Molecular Formula
C4H8N2O4S
SMILES
C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)N
InChI
InChI=1S/C4H8N2O4S/c1-2-3(5)4(7)6(2)11(8,9)10/h2-3H,5H2,1H3,(H,8,9,10)/t2-,3-/m0/s1
InChIKey
ISUIVWNWEDIHJD-HRFVKAFMSA-N
Compound name
(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

181
Patents

180.02048 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02776 137.6
[M+Na]+ 203.00970 140.9
[M+NH4]+ 198.05430 138.9
[M+K]+ 218.98364 139.5
[M-H]- 179.01320 132.5
[M+Na-2H]- 200.99515 135.9
[M]+ 180.01993 135.4
[M]- 180.02103 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe