CID 83545630

1514304-49-4

Structural Information

Molecular Formula
C14H17NO3
SMILES
CC(C)C1=CC=C(C=C1)C2CNC(=O)C2C(=O)O
InChI
InChI=1S/C14H17NO3/c1-8(2)9-3-5-10(6-4-9)11-7-15-13(16)12(11)14(17)18/h3-6,8,11-12H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKey
XAPHZMRTRNRBNY-UHFFFAOYSA-N
Compound name
2-oxo-4-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12085 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 156.7
[M+Na]+ 270.11007 162.8
[M-H]- 246.11357 159.4
[M+NH4]+ 265.15467 172.9
[M+K]+ 286.08401 159.2
[M+H-H2O]+ 230.11811 150.1
[M+HCOO]- 292.11905 173.6
[M+CH3COO]- 306.13470 190.0
[M+Na-2H]- 268.09552 154.9
[M]+ 247.12030 153.3
[M]- 247.12140 153.3
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.