CID 20117291

1000932-78-4

Structural Information

Molecular Formula
C9H13NO5S
SMILES
C1CS(=O)(=O)CC1N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C9H13NO5S/c11-8-3-6(9(12)13)4-10(8)7-1-2-16(14,15)5-7/h6-7H,1-5H2,(H,12,13)
InChIKey
LTTAUOWOFBCYRZ-UHFFFAOYSA-N
Compound name
1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05144 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05872 155.0
[M+Na]+ 270.04066 161.2
[M+NH4]+ 265.08526 161.9
[M+K]+ 286.01460 158.5
[M-H]- 246.04416 153.7
[M+Na-2H]- 268.02611 156.7
[M]+ 247.05089 155.5
[M]- 247.05199 155.5
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.