CID 107736

2607-52-5

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

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

InChI

InChI=1S/C15H22O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9H,1H2,2-7H3

InChIKey

JJQCWPWUHZFKBN-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-4-methylidenecyclohexa-2,5-dien-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 86
Patents: 218.16707 Da
Monoisotopic Mass: 4.6
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]+	219.174346	148.9
[M+Na]+	241.156288	157.3
[M-H]-	217.159794	153.2
[M+NH4]+	236.200893	168.7
[M+K]+	257.130228	154.7
[M+H-H2O]+	201.164330	144.7
[M+HCOO]-	263.165271	167.7
[M+CH3COO]-	277.180921	193.0
[M+Na-2H]-	239.141736	153.0
[M]+	218.16652142	149.9
[M]-	218.16761858	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe