CID 609056

77201-13-9

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1CCN(CC1)C(=O)C2=CC(=CC=C2)N

InChI

InChI=1S/C12H16N2O/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,13H2

InChIKey

AITMOJIGHBMWDB-UHFFFAOYSA-N

Compound name

(3-aminophenyl)-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 204.12627 Da
Monoisotopic Mass: 1.5
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	146.6
[M+Na]+	227.11549	151.2
[M-H]-	203.11899	150.6
[M+NH4]+	222.16009	163.2
[M+K]+	243.08943	148.2
[M+H-H2O]+	187.12353	138.6
[M+HCOO]-	249.12447	165.9
[M+CH3COO]-	263.14012	186.4
[M+Na-2H]-	225.10094	150.2
[M]+	204.12572	139.9
[M]-	204.12682	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe