CID 16228463

1417985-23-9

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

C1CCC(C1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C11H17NO3/c13-10(8-4-1-2-5-8)12-7-3-6-9(12)11(14)15/h8-9H,1-7H2,(H,14,15)

InChIKey

AJEBWVIODHBWMC-UHFFFAOYSA-N

Compound name

1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 211.12085 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]+	212.128126	150.7
[M+Na]+	234.110068	154.5
[M-H]-	210.113574	153.9
[M+NH4]+	229.154673	170.2
[M+K]+	250.084008	153.3
[M+H-H2O]+	194.118110	144.3
[M+HCOO]-	256.119051	167.9
[M+CH3COO]-	270.134701	181.5
[M+Na-2H]-	232.095516	147.9
[M]+	211.12030142	145.1
[M]-	211.12139858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe