CID 3069680

85018-64-0

Structural Information

Molecular Formula

C₁₈H₃₈O₂

SMILES

CCCC(C)(CCCCCCC(C)(CCC)CO)CO

InChI

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

InChIKey

JEFKIPKXHPCULJ-UHFFFAOYSA-N

Compound name

2,9-dimethyl-2,9-dipropyldecane-1,10-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
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]+	287.294446	180.5
[M+Na]+	309.276388	182.8
[M-H]-	285.279894	176.4
[M+NH4]+	304.320993	195.4
[M+K]+	325.250328	179.5
[M+H-H2O]+	269.284430	175.5
[M+HCOO]-	331.285371	194.7
[M+CH3COO]-	345.301021	202.8
[M+Na-2H]-	307.261836	181.8
[M]+	286.28662142	184.5
[M]-	286.28771858	184.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe