CID 131593863

Methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

COC(=O)C1(CCNC1)C2=CC=CC=C2Cl

InChI

InChI=1S/C12H14ClNO2/c1-16-11(15)12(6-7-14-8-12)9-4-2-3-5-10(9)13/h2-5,14H,6-8H2,1H3

InChIKey

HKJXNNNGPXBULZ-UHFFFAOYSA-N

Compound name

methyl 3-(2-chlorophenyl)pyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.0713 Da
Monoisotopic Mass: 1.9
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]+	240.078576	152.3
[M+Na]+	262.060518	159.9
[M-H]-	238.064024	156.1
[M+NH4]+	257.105123	172.2
[M+K]+	278.034458	155.3
[M+H-H2O]+	222.068560	146.4
[M+HCOO]-	284.069501	167.5
[M+CH3COO]-	298.085151	184.5
[M+Na-2H]-	260.045966	155.1
[M]+	239.07075142	151.3
[M]-	239.07184858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.