CID 24275213

1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H15NO3
SMILES
CC1=CC(=CC(=C1)N2CCC(C2=O)C(=O)O)C
InChI
InChI=1S/C13H15NO3/c1-8-5-9(2)7-10(6-8)14-4-3-11(12(14)15)13(16)17/h5-7,11H,3-4H2,1-2H3,(H,16,17)
InChIKey
BSPQNSXDZAYSLO-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 150.8
[M+Na]+ 256.09442 159.1
[M-H]- 232.09792 155.5
[M+NH4]+ 251.13902 168.8
[M+K]+ 272.06836 156.0
[M+H-H2O]+ 216.10246 144.4
[M+HCOO]- 278.10340 170.6
[M+CH3COO]- 292.11905 189.7
[M+Na-2H]- 254.07987 150.6
[M]+ 233.10465 150.0
[M]- 233.10575 150.0
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

No patent data available for this compound.