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]+ 296.112876 162.4
[M+Na]+ 318.094818 170.5
[M-H]- 294.098324 167.2
[M+NH4]+ 313.139423 177.8
[M+K]+ 334.068758 169.2
[M+H-H2O]+ 278.102860 155.5
[M+HCOO]- 340.103801 182.4
[M+CH3COO]- 354.119451 200.7
[M+Na-2H]- 316.080266 161.6
[M]+ 295.10505142 166.7
[M]- 295.10614858 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.