CID 103904

2-isopropyl-3-methylbutyrophenone

Structural Information

Molecular Formula

C₁₄H₂₀O

SMILES

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

InChI

InChI=1S/C14H20O/c1-10(2)13(11(3)4)14(15)12-8-6-5-7-9-12/h5-11,13H,1-4H3

InChIKey

FYQORWFOIQDIHG-UHFFFAOYSA-N

Compound name

3-methyl-1-phenyl-2-propan-2-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 204.15141 Da
Monoisotopic Mass: 4.2
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]+	205.15869	149.4
[M+Na]+	227.14063	160.6
[M+NH4]+	222.18523	157.6
[M+K]+	243.11457	155.0
[M-H]-	203.14413	151.1
[M+Na-2H]-	225.12608	154.9
[M]+	204.15086	151.4
[M]-	204.15196	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe