CID 3024286

94291-81-3

Structural Information

Molecular Formula

C₁₄H₂₀O

SMILES

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

InChI

InChI=1S/C14H20O/c1-9(2)13-7-6-12(11(5)15)8-14(13)10(3)4/h6-10H,1-5H3

InChIKey

ZDINBUUATIMDHJ-UHFFFAOYSA-N

Compound name

1-[3,4-di(propan-2-yl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 204.15141 Da
Monoisotopic Mass: 3.9
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	148.5
[M+Na]+	227.14063	160.9
[M+NH4]+	222.18523	156.9
[M+K]+	243.11457	154.9
[M-H]-	203.14413	150.6
[M+Na-2H]-	225.12608	154.1
[M]+	204.15086	150.9
[M]-	204.15196	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe