CID 10264057

1-(1,3-dioxaindan-5-yl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H11NO5
SMILES
C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)O
InChI
InChI=1S/C12H11NO5/c14-11-3-7(12(15)16)5-13(11)8-1-2-9-10(4-8)18-6-17-9/h1-2,4,7H,3,5-6H2,(H,15,16)
InChIKey
GJSWABALJXFXDE-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

249.06372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.070996 150.9
[M+Na]+ 272.052938 158.7
[M-H]- 248.056444 157.6
[M+NH4]+ 267.097543 167.7
[M+K]+ 288.026878 158.6
[M+H-H2O]+ 232.060980 145.8
[M+HCOO]- 294.061921 168.6
[M+CH3COO]- 308.077571 188.7
[M+Na-2H]- 270.038386 152.9
[M]+ 249.06317142 151.7
[M]- 249.06426858 151.7
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

patents stripe