CID 3646019

7-ethyl-2-methylundecanol

Structural Information

Molecular Formula

C₁₄H₃₀O

SMILES

CCCCC(CC)CCCCC(C)CO

InChI

InChI=1S/C14H30O/c1-4-6-10-14(5-2)11-8-7-9-13(3)12-15/h13-15H,4-12H2,1-3H3

InChIKey

GWLGHNGTPVNKTG-UHFFFAOYSA-N

Compound name

7-ethyl-2-methylundecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 214.22966 Da
Monoisotopic Mass: 5.8
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]+	215.23694	157.7
[M+Na]+	237.21888	166.0
[M+NH4]+	232.26348	164.6
[M+K]+	253.19282	159.5
[M-H]-	213.22238	156.6
[M+Na-2H]-	235.20433	159.0
[M]+	214.22911	158.3
[M]-	214.23021	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe