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 153.6
[M+Na]+ 272.08933 161.7
[M-H]- 248.09283 158.2
[M+NH4]+ 267.13393 170.8
[M+K]+ 288.06327 159.2
[M+H-H2O]+ 232.09737 147.0
[M+HCOO]- 294.09831 173.6
[M+CH3COO]- 308.11396 191.9
[M+Na-2H]- 270.07478 153.5
[M]+ 249.09956 154.2
[M]- 249.10066 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.