CID 6429037

8,9-dehydrothymol

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

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

InChI

InChI=1S/C10H12O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-6,11H,1H2,2-3H3

InChIKey

IHWFPRKZRRGTTI-UHFFFAOYSA-N

Compound name

5-methyl-2-prop-1-en-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 126
Patents: 148.08882 Da
Monoisotopic Mass: 3.4
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]+	149.09610	129.5
[M+Na]+	171.07804	138.0
[M-H]-	147.08154	132.4
[M+NH4]+	166.12264	150.7
[M+K]+	187.05198	135.5
[M+H-H2O]+	131.08608	124.8
[M+HCOO]-	193.08702	151.7
[M+CH3COO]-	207.10267	175.9
[M+Na-2H]-	169.06349	134.2
[M]+	148.08827	128.8
[M]-	148.08937	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe