CID 132343972

2137420-71-2

Structural Information

Molecular Formula
C9H15NO5S2
SMILES
C1COCC1CS(=O)(=O)N2CSC[C@@H]2C(=O)O
InChI
InChI=1S/C9H15NO5S2/c11-9(12)8-4-16-6-10(8)17(13,14)5-7-1-2-15-3-7/h7-8H,1-6H2,(H,11,12)/t7?,8-/m1/s1
InChIKey
REQNRTIASWJVCI-BRFYHDHCSA-N
Compound name
(4S)-3-(oxolan-3-ylmethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.03915 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.04643 162.7
[M+Na]+ 304.02837 168.7
[M-H]- 280.03187 166.9
[M+NH4]+ 299.07297 179.2
[M+K]+ 320.00231 167.6
[M+H-H2O]+ 264.03641 158.8
[M+HCOO]- 326.03735 170.0
[M+CH3COO]- 340.05300 187.8
[M+Na-2H]- 302.01382 160.3
[M]+ 281.03860 163.3
[M]- 281.03970 163.3
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.