CID 59351982

2-methoxy-4,4-dimethylpentan-1-ol

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CC(C)(C)CC(CO)OC

InChI

InChI=1S/C8H18O2/c1-8(2,3)5-7(6-9)10-4/h7,9H,5-6H2,1-4H3

InChIKey

RCGQHCMTOOPEDX-UHFFFAOYSA-N

Compound name

2-methoxy-4,4-dimethylpentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 146.13068 Da
Monoisotopic Mass: 1.5
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]+	147.13796	133.8
[M+Na]+	169.11990	142.9
[M+NH4]+	164.16450	141.1
[M+K]+	185.09384	138.9
[M-H]-	145.12340	132.0
[M+Na-2H]-	167.10535	136.5
[M]+	146.13013	134.4
[M]-	146.13123	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe