CID 62271735

2230799-94-5

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

C1CCC(C1)(CN2CCCC2)C(=O)O

InChI

InChI=1S/C11H19NO2/c13-10(14)11(5-1-2-6-11)9-12-7-3-4-8-12/h1-9H2,(H,13,14)

InChIKey

CGHFMKTVZROYIQ-UHFFFAOYSA-N

Compound name

1-(pyrrolidin-1-ylmethyl)cyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.14159 Da
Monoisotopic Mass: -0.6
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]+	198.14887	148.8
[M+Na]+	220.13081	155.6
[M+NH4]+	215.17541	157.7
[M+K]+	236.10475	152.5
[M-H]-	196.13431	149.4
[M+Na-2H]-	218.11626	152.9
[M]+	197.14104	149.6
[M]-	197.14214	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe