CID 5140464

1188362-70-0

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

C1CC(N(C1)CC2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C11H14N2O2/c14-11(15)10-5-3-7-13(10)8-9-4-1-2-6-12-9/h1-2,4,6,10H,3,5,7-8H2,(H,14,15)

InChIKey

JXAKWFRDECJWGV-UHFFFAOYSA-N

Compound name

1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 206.10553 Da
Monoisotopic Mass: -1.4
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]+	207.11281	145.7
[M+Na]+	229.09475	151.8
[M-H]-	205.09825	148.0
[M+NH4]+	224.13935	162.5
[M+K]+	245.06869	149.1
[M+H-H2O]+	189.10279	137.6
[M+HCOO]-	251.10373	164.4
[M+CH3COO]-	265.11938	181.6
[M+Na-2H]-	227.08020	148.3
[M]+	206.10498	142.7
[M]-	206.10608	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe