CID 139026694

2361645-45-4

Structural Information

Molecular Formula
C7H11NO4S
SMILES
C1CC2(CCS(=O)(=O)N2C1)C(=O)O
InChI
InChI=1S/C7H11NO4S/c9-6(10)7-2-1-4-8(7)13(11,12)5-3-7/h1-5H2,(H,9,10)
InChIKey
IYCNMCCUCUDUJY-UHFFFAOYSA-N
Compound name
1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04088 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.048156 141.2
[M+Na]+ 228.030098 150.4
[M-H]- 204.033604 143.4
[M+NH4]+ 223.074703 167.0
[M+K]+ 244.004038 148.9
[M+H-H2O]+ 188.038140 138.6
[M+HCOO]- 250.039081 155.9
[M+CH3COO]- 264.054731 175.3
[M+Na-2H]- 226.015546 143.9
[M]+ 205.04033142 142.2
[M]- 205.04142858 142.2
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.