CID 4961598

1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H15NO4
SMILES
CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C13H15NO4/c1-8-3-4-11(18-2)10(5-8)14-7-9(13(16)17)6-12(14)15/h3-5,9H,6-7H2,1-2H3,(H,16,17)
InChIKey
PLQYUMDHVHCXAC-UHFFFAOYSA-N
Compound name
1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 155.8
[M+Na]+ 272.08933 166.5
[M+NH4]+ 267.13393 162.0
[M+K]+ 288.06327 164.0
[M-H]- 248.09283 156.7
[M+Na-2H]- 270.07478 159.7
[M]+ 249.09956 157.2
[M]- 249.10066 157.2
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.