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]+ 264.086656 155.3
[M+Na]+ 286.068598 161.9
[M-H]- 262.072104 161.3
[M+NH4]+ 281.113203 169.6
[M+K]+ 302.042538 161.5
[M+H-H2O]+ 246.076640 148.6
[M+HCOO]- 308.077581 170.5
[M+CH3COO]- 322.093231 192.0
[M+Na-2H]- 284.054046 158.3
[M]+ 263.07883142 154.2
[M]- 263.07992858 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.