CID 24982

60828-78-6

Structural Information

Molecular Formula

C₁₄H₃₀O₂

SMILES

CC(C)CC(C)CC(CC(C)C)OCCO

InChI

InChI=1S/C14H30O2/c1-11(2)8-13(5)10-14(9-12(3)4)16-7-6-15/h11-15H,6-10H2,1-5H3

InChIKey

VKKFWRYCMZBXIG-UHFFFAOYSA-N

Compound name

2-(2,6,8-trimethylnonan-4-yloxy)ethanol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 183
Patents: 230.22458 Da
Monoisotopic Mass: 4.2
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]+	231.231856	163.8
[M+Na]+	253.213798	166.5
[M-H]-	229.217304	161.6
[M+NH4]+	248.258403	181.2
[M+K]+	269.187738	166.1
[M+H-H2O]+	213.221840	158.3
[M+HCOO]-	275.222781	180.0
[M+CH3COO]-	289.238431	196.0
[M+Na-2H]-	251.199246	161.0
[M]+	230.22403142	166.5
[M]-	230.22512858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe