CID 12551839

2-ethyl-2-methyl-1-phenylbutan-1-one

Structural Information

Molecular Formula

C₁₃H₁₈O

SMILES

CCC(C)(CC)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H18O/c1-4-13(3,5-2)12(14)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3

InChIKey

BAMYJYAJTQULAM-UHFFFAOYSA-N

Compound name

2-ethyl-2-methyl-1-phenylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 190.13577 Da
Monoisotopic Mass: 3.7
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]+	191.14305	145.0
[M+Na]+	213.12499	157.2
[M+NH4]+	208.16959	153.5
[M+K]+	229.09893	150.6
[M-H]-	189.12849	146.8
[M+Na-2H]-	211.11044	151.8
[M]+	190.13522	147.3
[M]-	190.13632	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe