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

12
Patents

249.06372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07100 150.9
[M+Na]+ 272.05294 158.7
[M-H]- 248.05644 157.6
[M+NH4]+ 267.09754 167.7
[M+K]+ 288.02688 158.6
[M+H-H2O]+ 232.06098 145.8
[M+HCOO]- 294.06192 168.6
[M+CH3COO]- 308.07757 188.7
[M+Na-2H]- 270.03839 152.9
[M]+ 249.06317 151.7
[M]- 249.06427 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