CID 16769881

5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C14H17NO6
SMILES
COC1=CC(=CC(=C1OC)OC)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C14H17NO6/c1-19-10-5-9(6-11(20-2)13(10)21-3)15-7-8(14(17)18)4-12(15)16/h5-6,8H,4,7H2,1-3H3,(H,17,18)
InChIKey
KJGIGHRIXXBYRO-UHFFFAOYSA-N
Compound name
5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1056 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11288 162.4
[M+Na]+ 318.09482 170.5
[M-H]- 294.09832 167.2
[M+NH4]+ 313.13942 177.8
[M+K]+ 334.06876 169.2
[M+H-H2O]+ 278.10286 155.5
[M+HCOO]- 340.10380 182.4
[M+CH3COO]- 354.11945 200.7
[M+Na-2H]- 316.08027 161.6
[M]+ 295.10505 166.7
[M]- 295.10615 166.7
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

No patent data available for this compound.