CID 10535455

2253632-74-3

Structural Information

Molecular Formula

C₉H₁₁ClN₂

SMILES

C1CNCC1C2=CN=C(C=C2)Cl

InChI

InChI=1S/C9H11ClN2/c10-9-2-1-7(6-12-9)8-3-4-11-5-8/h1-2,6,8,11H,3-5H2

InChIKey

LHJJXWWVGBSUEE-UHFFFAOYSA-N

Compound name

2-chloro-5-pyrrolidin-3-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.06108 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]+	183.068356	138.2
[M+Na]+	205.050298	146.0
[M-H]-	181.053804	140.2
[M+NH4]+	200.094903	157.0
[M+K]+	221.024238	141.1
[M+H-H2O]+	165.058340	130.8
[M+HCOO]-	227.059281	153.2
[M+CH3COO]-	241.074931	150.3
[M+Na-2H]-	203.035746	142.4
[M]+	182.06053142	134.7
[M]-	182.06162858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe