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]+ 248.058716 151.5
[M+Na]+ 270.040658 159.6
[M-H]- 246.044164 156.0
[M+NH4]+ 265.085263 172.6
[M+K]+ 286.014598 157.8
[M+H-H2O]+ 230.048700 147.7
[M+HCOO]- 292.049641 166.1
[M+CH3COO]- 306.065291 183.8
[M+Na-2H]- 268.026106 149.2
[M]+ 247.05089142 151.4
[M]- 247.05198858 151.4
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.