CID 184493

105463-44-3

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

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

InChI

InChI=1S/C14H26O/c1-6-9-14(15)12(2,3)10-7-8-11-13(14,4)5/h6,15H,1,7-11H2,2-5H3

InChIKey

FFYUAKBJWFOMLK-UHFFFAOYSA-N

Compound name

2,2,7,7-tetramethyl-1-prop-2-enylcycloheptan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 210.19836 Da
Monoisotopic Mass: 4.5
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]+	211.20564	140.9
[M+Na]+	233.18758	149.2
[M+NH4]+	228.23218	152.1
[M+K]+	249.16152	140.2
[M-H]-	209.19108	142.2
[M+Na-2H]-	231.17303	149.2
[M]+	210.19781	142.9
[M]-	210.19891	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe