CID 107043

68015-67-8

Structural Information

Molecular Formula

C₁₅H₃₂O₂

SMILES

CCCCC(C)C(C)C(C)C(C)COCCO

InChI

InChI=1S/C15H32O2/c1-6-7-8-12(2)14(4)15(5)13(3)11-17-10-9-16/h12-16H,6-11H2,1-5H3

InChIKey

MKUBXIWLTWMQID-UHFFFAOYSA-N

Compound name

2-(2,3,4,5-tetramethylnonoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 244.24023 Da
Monoisotopic Mass: 4.7
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]+	245.24751	168.5
[M+Na]+	267.22945	170.7
[M-H]-	243.23295	166.0
[M+NH4]+	262.27405	185.3
[M+K]+	283.20339	170.1
[M+H-H2O]+	227.23749	162.8
[M+HCOO]-	289.23843	184.3
[M+CH3COO]-	303.25408	199.0
[M+Na-2H]-	265.21490	165.1
[M]+	244.23968	171.6
[M]-	244.24078	171.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe