CID 141860

5-methyl-5-nonanol

Structural Information

Molecular Formula

C₁₀H₂₂O

SMILES

CCCCC(C)(CCCC)O

InChI

InChI=1S/C10H22O/c1-4-6-8-10(3,11)9-7-5-2/h11H,4-9H2,1-3H3

InChIKey

AGSIGVZAVLOKLP-UHFFFAOYSA-N

Compound name

5-methylnonan-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 158.16707 Da
Monoisotopic Mass: 3.4
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]+	159.17435	141.0
[M+Na]+	181.15629	146.6
[M-H]-	157.15979	139.5
[M+NH4]+	176.20089	161.7
[M+K]+	197.13023	145.3
[M+H-H2O]+	141.16433	136.8
[M+HCOO]-	203.16527	160.7
[M+CH3COO]-	217.18092	179.0
[M+Na-2H]-	179.14174	146.1
[M]+	158.16652	142.9
[M]-	158.16762	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe