CID 107097

1-nonanol, 5-ethyl-2-methyl-

Structural Information

Molecular Formula

C₁₂H₂₆O

SMILES

CCCCC(CC)CCC(C)CO

InChI

InChI=1S/C12H26O/c1-4-6-7-12(5-2)9-8-11(3)10-13/h11-13H,4-10H2,1-3H3

InChIKey

WIGUFLFEXMLRCT-UHFFFAOYSA-N

Compound name

5-ethyl-2-methylnonan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 186.19836 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]+	187.205636	151.3
[M+Na]+	209.187578	155.2
[M-H]-	185.191084	149.2
[M+NH4]+	204.232183	170.6
[M+K]+	225.161518	153.9
[M+H-H2O]+	169.195620	146.2
[M+HCOO]-	231.196561	169.8
[M+CH3COO]-	245.212211	186.3
[M+Na-2H]-	207.173026	152.0
[M]+	186.19781142	153.1
[M]-	186.19890858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe