CID 17389686

887361-19-5

Structural Information

Molecular Formula
C14H17NO3
SMILES
CCN1C(C(CC1=O)C(=O)O)C2=CC=CC(=C2)C
InChI
InChI=1S/C14H17NO3/c1-3-15-12(16)8-11(14(17)18)13(15)10-6-4-5-9(2)7-10/h4-7,11,13H,3,8H2,1-2H3,(H,17,18)
InChIKey
KUIOWASZZVAXFA-UHFFFAOYSA-N
Compound name
1-ethyl-2-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 155.4
[M+Na]+ 270.11007 163.3
[M-H]- 246.11357 159.9
[M+NH4]+ 265.15467 172.9
[M+K]+ 286.08401 160.0
[M+H-H2O]+ 230.11811 148.8
[M+HCOO]- 292.11905 174.9
[M+CH3COO]- 306.13470 192.7
[M+Na-2H]- 268.09552 154.7
[M]+ 247.12030 155.0
[M]- 247.12140 155.0
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.