CID 16777617

142962-04-7

Structural Information

Molecular Formula
C13H13NO5
SMILES
C1CC(N(C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O
InChI
InChI=1S/C13H13NO5/c15-12(14-5-1-2-9(14)13(16)17)8-3-4-10-11(6-8)19-7-18-10/h3-4,6,9H,1-2,5,7H2,(H,16,17)
InChIKey
PTNAENHSKZUBGX-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

263.07938 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08666 156.3
[M+Na]+ 286.06860 165.3
[M+NH4]+ 281.11320 162.5
[M+K]+ 302.04254 166.5
[M-H]- 262.07210 159.2
[M+Na-2H]- 284.05405 157.6
[M]+ 263.07883 158.0
[M]- 263.07993 158.0
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