CID 20041318

1-benzoyl-2-methylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C13H15NO3
SMILES
CC1(CCCN1C(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H15NO3/c1-13(12(16)17)8-5-9-14(13)11(15)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,16,17)
InChIKey
KBBGVLJOPVWVFH-UHFFFAOYSA-N
Compound name
1-benzoyl-2-methylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.1052 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 153.4
[M+Na]+ 256.09442 163.4
[M+NH4]+ 251.13902 161.6
[M+K]+ 272.06836 158.7
[M-H]- 232.09792 154.5
[M+Na-2H]- 254.07987 159.7
[M]+ 233.10465 154.9
[M]- 233.10575 154.9
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

patents stripe