CID 16226868

900137-36-2

Structural Information

Molecular Formula

C₁₄H₁₈ClNO₃

SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CCl

InChI

InChI=1S/C14H18ClNO3/c1-18-10-5-6-13(19-2)11(8-10)12-4-3-7-16(12)14(17)9-15/h5-6,8,12H,3-4,7,9H2,1-2H3

InChIKey

RZXUCAQMZIQIRL-UHFFFAOYSA-N

Compound name

2-chloro-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 283.09753 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]+	284.104806	163.8
[M+Na]+	306.086748	171.7
[M-H]-	282.090254	169.0
[M+NH4]+	301.131353	181.2
[M+K]+	322.060688	168.0
[M+H-H2O]+	266.094790	156.9
[M+HCOO]-	328.095731	180.0
[M+CH3COO]-	342.111381	197.8
[M+Na-2H]-	304.072196	163.6
[M]+	283.09698142	167.4
[M]-	283.09807858	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe