CID 7029

Diethylpropion

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CCN(CC)C(C)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3

InChIKey

XXEPPPIWZFICOJ-UHFFFAOYSA-N

Compound name

2-(diethylamino)-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 382
References: 87091
Patents: 205.14667 Da
Monoisotopic Mass: 2.8
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]+	206.153946	149.3
[M+Na]+	228.135888	154.0
[M-H]-	204.139394	153.7
[M+NH4]+	223.180493	168.4
[M+K]+	244.109828	153.3
[M+H-H2O]+	188.143930	142.4
[M+HCOO]-	250.144871	172.4
[M+CH3COO]-	264.160521	194.6
[M+Na-2H]-	226.121336	152.3
[M]+	205.14612142	150.6
[M]-	205.14721858	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe