CID 138529

5520-66-1

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

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

InChI

InChI=1S/C12H17NO/c1-4-13(5-2)12-8-6-11(7-9-12)10(3)14/h6-9H,4-5H2,1-3H3

InChIKey

HMIBQFXWSUBFTG-UHFFFAOYSA-N

Compound name

1-[4-(diethylamino)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3298
Patents: 191.13101 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]+	192.13829	143.5
[M+Na]+	214.12023	149.9
[M-H]-	190.12373	148.5
[M+NH4]+	209.16483	163.7
[M+K]+	230.09417	149.1
[M+H-H2O]+	174.12827	137.1
[M+HCOO]-	236.12921	168.1
[M+CH3COO]-	250.14486	191.9
[M+Na-2H]-	212.10568	147.8
[M]+	191.13046	145.6
[M]-	191.13156	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe