CID 37147

Gemcadiol

Structural Information

Molecular Formula

C₁₄H₃₀O₂

SMILES

CC(C)(CCCCCCC(C)(C)CO)CO

InChI

InChI=1S/C14H30O2/c1-13(2,11-15)9-7-5-6-8-10-14(3,4)12-16/h15-16H,5-12H2,1-4H3

InChIKey

DJKWDKJYFYUEBQ-UHFFFAOYSA-N

Compound name

2,2,9,9-tetramethyldecane-1,10-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 382
Patents: 230.22458 Da
Monoisotopic Mass: 4.1
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]+	231.23186	160.4
[M+Na]+	253.21380	167.7
[M+NH4]+	248.25840	166.1
[M+K]+	269.18774	163.0
[M-H]-	229.21730	157.3
[M+Na-2H]-	251.19925	161.2
[M]+	230.22403	160.4
[M]-	230.22513	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe