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]+	198.148866	148.5
[M+Na]+	220.130808	152.4
[M-H]-	196.134314	151.5
[M+NH4]+	215.175413	170.4
[M+K]+	236.104748	150.8
[M+H-H2O]+	180.138850	142.3
[M+HCOO]-	242.139791	166.3
[M+CH3COO]-	256.155441	178.4
[M+Na-2H]-	218.116256	148.5
[M]+	197.14104142	142.7
[M]-	197.14213858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe