CID 26192050

(3r)-3-(3-chlorophenoxy)pyrrolidine

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

C1CNC[C@@H]1OC2=CC(=CC=C2)Cl

InChI

InChI=1S/C10H12ClNO/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7H2/t10-/m1/s1

InChIKey

NDJXJUSKVNUOOH-SNVBAGLBSA-N

Compound name

(3R)-3-(3-chlorophenoxy)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 197.06075 Da
Monoisotopic Mass: 2.3
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]+	198.068026	141.6
[M+Na]+	220.049968	149.1
[M-H]-	196.053474	145.1
[M+NH4]+	215.094573	161.3
[M+K]+	236.023908	144.3
[M+H-H2O]+	180.058010	135.2
[M+HCOO]-	242.058951	157.9
[M+CH3COO]-	256.074601	154.0
[M+Na-2H]-	218.035416	145.4
[M]+	197.06020142	139.5
[M]-	197.06129858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe