CID 3017432

63500-71-0

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC(C)CC1CC(CCO1)(C)O

InChI

InChI=1S/C10H20O2/c1-8(2)6-9-7-10(3,11)4-5-12-9/h8-9,11H,4-7H2,1-3H3

InChIKey

YVSNOTITPICPTB-UHFFFAOYSA-N

Compound name

4-methyl-2-(2-methylpropyl)oxan-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 5209
Patents: 172.14633 Da
Monoisotopic Mass: 1.9
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]+	173.15361	140.1
[M+Na]+	195.13555	145.2
[M-H]-	171.13905	142.5
[M+NH4]+	190.18015	160.6
[M+K]+	211.10949	145.6
[M+H-H2O]+	155.14359	135.7
[M+HCOO]-	217.14453	157.0
[M+CH3COO]-	231.16018	178.3
[M+Na-2H]-	193.12100	144.6
[M]+	172.14578	137.8
[M]-	172.14688	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe