CID 114530

Dihydroroseoxide

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC1CCOC(C1)CC(C)C

InChI

InChI=1S/C10H20O/c1-8(2)6-10-7-9(3)4-5-11-10/h8-10H,4-7H2,1-3H3

InChIKey

LETLQGKRPMMKKC-UHFFFAOYSA-N

Compound name

4-methyl-2-(2-methylpropyl)oxane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 247
Patents: 156.15141 Da
Monoisotopic Mass: 3.1
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]+	157.15869	137.3
[M+Na]+	179.14063	141.9
[M-H]-	155.14413	140.7
[M+NH4]+	174.18523	157.1
[M+K]+	195.11457	142.5
[M+H-H2O]+	139.14867	131.9
[M+HCOO]-	201.14961	155.5
[M+CH3COO]-	215.16526	179.4
[M+Na-2H]-	177.12608	141.1
[M]+	156.15086	135.0
[M]-	156.15196	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe