CID 140618

2,2-dimethyl-3-octanol

Structural Information

Molecular Formula

C₁₀H₂₂O

SMILES

CCCCCC(C(C)(C)C)O

InChI

InChI=1S/C10H22O/c1-5-6-7-8-9(11)10(2,3)4/h9,11H,5-8H2,1-4H3

InChIKey

AZIWNYAWODSERA-UHFFFAOYSA-N

Compound name

2,2-dimethyloctan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 158.16707 Da
Monoisotopic Mass: 3.7
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]+	159.17435	139.9
[M+Na]+	181.15629	149.1
[M+NH4]+	176.20089	147.4
[M+K]+	197.13023	144.0
[M-H]-	157.15979	138.6
[M+Na-2H]-	179.14174	142.5
[M]+	158.16652	140.7
[M]-	158.16762	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe