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]+ 190.053236 135.7
[M+Na]+ 212.035178 146.8
[M-H]- 188.038684 139.7
[M+NH4]+ 207.079783 163.4
[M+K]+ 228.009118 145.2
[M+H-H2O]+ 172.043220 133.1
[M+HCOO]- 234.044161 152.8
[M+CH3COO]- 248.059811 176.0
[M+Na-2H]- 210.020626 139.1
[M]+ 189.04541142 138.1
[M]- 189.04650858 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.