CID 126815692

2059987-02-7

Structural Information

Molecular Formula
C7H11NO3S
SMILES
CC12CCCN1S(=O)(=O)CC2=O
InChI
InChI=1S/C7H11NO3S/c1-7-3-2-4-8(7)12(10,11)5-6(7)9/h2-5H2,1H3
InChIKey
NLTLGQFKDLISSI-UHFFFAOYSA-N
Compound name
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

189.04596 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.05324 135.7
[M+Na]+ 212.03518 146.8
[M-H]- 188.03868 139.7
[M+NH4]+ 207.07978 163.4
[M+K]+ 228.00912 145.2
[M+H-H2O]+ 172.04322 133.1
[M+HCOO]- 234.04416 152.8
[M+CH3COO]- 248.05981 176.0
[M+Na-2H]- 210.02063 139.1
[M]+ 189.04541 138.1
[M]- 189.04651 138.1
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.