CID 16776146

926219-21-8

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O

SMILES

C1CCN(C1)C(=O)C2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C11H13ClN2O/c12-8-3-4-10(13)9(7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,13H2

InChIKey

MQNFUAUURHFKJW-UHFFFAOYSA-N

Compound name

(2-amino-5-chlorophenyl)-pyrrolidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 224.07164 Da
Monoisotopic Mass: 2.0
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]+	225.078916	149.9
[M+Na]+	247.060858	157.5
[M-H]-	223.064364	154.6
[M+NH4]+	242.105463	168.8
[M+K]+	263.034798	152.8
[M+H-H2O]+	207.068900	143.2
[M+HCOO]-	269.069841	167.0
[M+CH3COO]-	283.085491	187.8
[M+Na-2H]-	245.046306	151.1
[M]+	224.07109142	147.4
[M]-	224.07218858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe