CID 66512

82-77-9

Structural Information

Molecular Formula

C₁₄H₂₀O

SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)C(=O)C)C

InChI

InChI=1S/C14H20O/c1-9-7-10(2)13(11(3)15)12(8-9)14(4,5)6/h7-8H,1-6H3

InChIKey

GSFYTAZYMJWICZ-UHFFFAOYSA-N

Compound name

1-(2-tert-butyl-4,6-dimethylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.15141 Da
Monoisotopic Mass: 4.0
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	148.4
[M+Na]+	227.14063	161.5
[M+NH4]+	222.18523	156.7
[M+K]+	243.11457	155.3
[M-H]-	203.14413	150.3
[M+Na-2H]-	225.12608	154.3
[M]+	204.15086	151.0
[M]-	204.15196	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.