CID 132327959

2126159-90-6

Structural Information

Molecular Formula
C8H13NO4S
SMILES
CC12CC(CN1S(=O)(=O)CC2=O)OC
InChI
InChI=1S/C8H13NO4S/c1-8-3-6(13-2)4-9(8)14(11,12)5-7(8)10/h6H,3-5H2,1-2H3
InChIKey
AXAUFMYEVWYHTC-UHFFFAOYSA-N
Compound name
5-methoxy-3a-methyl-1,1-dioxo-5,6-dihydro-4H-pyrrolo[1,2-b][1,2]thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.05653 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06381 141.4
[M+Na]+ 242.04575 152.7
[M-H]- 218.04925 145.5
[M+NH4]+ 237.09035 168.1
[M+K]+ 258.01969 151.3
[M+H-H2O]+ 202.05379 139.1
[M+HCOO]- 264.05473 158.3
[M+CH3COO]- 278.07038 182.3
[M+Na-2H]- 240.03120 144.3
[M]+ 219.05598 146.0
[M]- 219.05708 146.0
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.