CID 16770712

926265-87-4

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1CCN(C1)C(=O)CC2=CC=C(C=C2)N

InChI

InChI=1S/C12H16N2O/c13-11-5-3-10(4-6-11)9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9,13H2

InChIKey

OZDIAFWIIAECIL-UHFFFAOYSA-N

Compound name

2-(4-aminophenyl)-1-pyrrolidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 204.12627 Da
Monoisotopic Mass: 1.1
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]+	205.13355	146.8
[M+Na]+	227.11549	152.2
[M-H]-	203.11899	151.2
[M+NH4]+	222.16009	165.4
[M+K]+	243.08943	149.3
[M+H-H2O]+	187.12353	139.1
[M+HCOO]-	249.12447	168.3
[M+CH3COO]-	263.14012	185.9
[M+Na-2H]-	225.10094	148.9
[M]+	204.12572	142.3
[M]-	204.12682	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe