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: 16
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]+	211.205636	142.5
[M+Na]+	233.187578	147.2
[M-H]-	209.191084	145.7
[M+NH4]+	228.232183	165.2
[M+K]+	249.161518	147.7
[M+H-H2O]+	193.195620	139.5
[M+HCOO]-	255.196561	159.2
[M+CH3COO]-	269.212211	189.1
[M+Na-2H]-	231.173026	146.9
[M]+	210.19781142	137.5
[M]-	210.19890858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe