CID 3069683

85018-68-4

Structural Information

Molecular Formula

C₁₈H₃₈O₂

SMILES

CCC(C)(CCCCCCCCC(C)(CC)CO)CO

InChI

InChI=1S/C18H38O2/c1-5-17(3,15-19)13-11-9-7-8-10-12-14-18(4,6-2)16-20/h19-20H,5-16H2,1-4H3

InChIKey

TYLRFGPJTUPMPD-UHFFFAOYSA-N

Compound name

2,11-diethyl-2,11-dimethyldodecane-1,12-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 286.28717 Da
Monoisotopic Mass: 5.9
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]+	287.29445	180.5
[M+Na]+	309.27639	182.8
[M-H]-	285.27989	176.4
[M+NH4]+	304.32099	195.4
[M+K]+	325.25033	179.5
[M+H-H2O]+	269.28443	175.5
[M+HCOO]-	331.28537	194.7
[M+CH3COO]-	345.30102	202.8
[M+Na-2H]-	307.26184	181.8
[M]+	286.28662	184.5
[M]-	286.28772	184.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe