CID 3069679

85018-63-9

Structural Information

Molecular Formula

C₁₆H₃₄O₂

SMILES

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

InChI

InChI=1S/C16H34O2/c1-5-15(3,13-17)11-9-7-8-10-12-16(4,6-2)14-18/h17-18H,5-14H2,1-4H3

InChIKey

VIILEJYILYNGOK-UHFFFAOYSA-N

Compound name

2,9-diethyl-2,9-dimethyldecane-1,10-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 258.2559 Da
Monoisotopic Mass: 4.8
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]+	259.263176	171.5
[M+Na]+	281.245118	174.7
[M-H]-	257.248624	167.8
[M+NH4]+	276.289723	187.5
[M+K]+	297.219058	171.8
[M+H-H2O]+	241.253160	166.9
[M+HCOO]-	303.254101	186.4
[M+CH3COO]-	317.269751	196.9
[M+Na-2H]-	279.230566	173.9
[M]+	258.25535142	174.8
[M]-	258.25644858	174.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe