CID 170454644

(2s)-3-hydroxy-2-methyl-4-oxoazetidine-1-sulfonic acid

Structural Information

Molecular Formula
C4H7NO5S
SMILES
C[C@H]1C(C(=O)N1S(=O)(=O)O)O
InChI
InChI=1S/C4H7NO5S/c1-2-3(6)4(7)5(2)11(8,9)10/h2-3,6H,1H3,(H,8,9,10)/t2-,3?/m0/s1
InChIKey
GOKVLCJNCDVMSI-SCQFTWEKSA-N
Compound name
(2S)-3-hydroxy-2-methyl-4-oxoazetidine-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.00449 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.011766 129.2
[M+Na]+ 203.993708 136.2
[M-H]- 179.997214 129.1
[M+NH4]+ 199.038313 140.2
[M+K]+ 219.967648 137.7
[M+H-H2O]+ 164.001750 118.6
[M+HCOO]- 226.002691 141.8
[M+CH3COO]- 240.018341 175.9
[M+Na-2H]- 201.979156 131.2
[M]+ 181.00394142 139.4
[M]- 181.00503858 139.4
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.