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 151.5
[M+Na]+ 270.04066 159.6
[M-H]- 246.04416 156.0
[M+NH4]+ 265.08526 172.6
[M+K]+ 286.01460 157.8
[M+H-H2O]+ 230.04870 147.7
[M+HCOO]- 292.04964 166.1
[M+CH3COO]- 306.06529 183.8
[M+Na-2H]- 268.02611 149.2
[M]+ 247.05089 151.4
[M]- 247.05199 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.