CID 58790246

3-methyl-2-oxo-1-phenylpyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H13NO3
SMILES
CC1(CCN(C1=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H13NO3/c1-12(11(15)16)7-8-13(10(12)14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,15,16)
InChIKey
UEMWXYBZHJIITB-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-1-phenylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

219.08954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 146.7
[M+Na]+ 242.07876 154.6
[M-H]- 218.08226 151.1
[M+NH4]+ 237.12336 166.7
[M+K]+ 258.05270 151.9
[M+H-H2O]+ 202.08680 140.6
[M+HCOO]- 264.08774 166.9
[M+CH3COO]- 278.10339 183.8
[M+Na-2H]- 240.06421 149.6
[M]+ 219.08899 145.1
[M]- 219.09009 145.1
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