CID 86427

1-butanone, 4-(diethylamino)-1-phenyl-

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CCN(CC)CCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H21NO/c1-3-15(4-2)12-8-11-14(16)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3

InChIKey

BXENNERVHQAIAY-UHFFFAOYSA-N

Compound name

4-(diethylamino)-1-phenylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 219.16231 Da
Monoisotopic Mass: 2.7
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]+	220.16959	153.5
[M+Na]+	242.15153	164.7
[M+NH4]+	237.19613	161.7
[M+K]+	258.12547	157.5
[M-H]-	218.15503	156.4
[M+Na-2H]-	240.13698	160.0
[M]+	219.16176	155.8
[M]-	219.16286	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe