CID 53495295

2307739-14-4

Structural Information

Molecular Formula
C8H13NO4S
SMILES
C1[C@@H]2[C@H](CN1)S(=O)(=O)C[C@H]2CC(=O)O
InChI
InChI=1S/C8H13NO4S/c10-8(11)1-5-4-14(12,13)7-3-9-2-6(5)7/h5-7,9H,1-4H2,(H,10,11)/t5-,6+,7+/m1/s1
InChIKey
ZCPXPFGVAIHLQX-VQVTYTSYSA-N
Compound name
2-[(3S,3aR,6aR)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.05653 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06381 148.1
[M+Na]+ 242.04575 154.0
[M+NH4]+ 237.09035 155.8
[M+K]+ 258.01969 150.8
[M-H]- 218.04925 145.5
[M+Na-2H]- 240.03120 148.3
[M]+ 219.05598 148.1
[M]- 219.05708 148.1
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.