CID 10899016

Chloromethyl pyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₆H₁₀ClNO₂

SMILES

C1CCN(C1)C(=O)OCCl

InChI

InChI=1S/C6H10ClNO2/c7-5-10-6(9)8-3-1-2-4-8/h1-5H2

InChIKey

KWQRWSRWSWLRGN-UHFFFAOYSA-N

Compound name

chloromethyl pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 163.04001 Da
Monoisotopic Mass: 1.3
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]+	164.04729	131.7
[M+Na]+	186.02923	141.8
[M+NH4]+	181.07383	139.9
[M+K]+	202.00317	138.1
[M-H]-	162.03273	131.6
[M+Na-2H]-	184.01468	135.8
[M]+	163.03946	133.0
[M]-	163.04056	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe