CID 2741832

260555-42-8

Structural Information

Molecular Formula
C13H13NO5
SMILES
C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)O
InChI
InChI=1S/C13H13NO5/c15-12-5-8(13(16)17)7-14(12)9-1-2-10-11(6-9)19-4-3-18-10/h1-2,6,8H,3-5,7H2,(H,16,17)
InChIKey
WYAZIQJWTHGDFT-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

263.07938 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08666 155.3
[M+Na]+ 286.06860 161.9
[M-H]- 262.07210 161.3
[M+NH4]+ 281.11320 169.6
[M+K]+ 302.04254 161.5
[M+H-H2O]+ 246.07664 148.6
[M+HCOO]- 308.07758 170.5
[M+CH3COO]- 322.09323 192.0
[M+Na-2H]- 284.05405 158.3
[M]+ 263.07883 154.2
[M]- 263.07993 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.