CID 2911603

63675-25-2

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

CC1=CC(=C(C(=C1)C)N2CC(CC2=O)C(=O)O)C

InChI

InChI=1S/C14H17NO3/c1-8-4-9(2)13(10(3)5-8)15-7-11(14(17)18)6-12(15)16/h4-5,11H,6-7H2,1-3H3,(H,17,18)

InChIKey

AXLGQTRQNJDIMJ-UHFFFAOYSA-N

Compound name

5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 247.12085 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.12813	154.6
[M+Na]+	270.11007	163.4
[M-H]-	246.11357	159.5
[M+NH4]+	265.15467	172.4
[M+K]+	286.08401	160.2
[M+H-H2O]+	230.11811	148.4
[M+HCOO]-	292.11905	174.1
[M+CH3COO]-	306.13470	194.0
[M+Na-2H]-	268.09552	153.4
[M]+	247.12030	154.6
[M]-	247.12140	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe