CID 551484

89686-69-1

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC(C)(C1CCCO1)C2CCCO2

InChI

InChI=1S/C11H20O2/c1-11(2,9-5-3-7-12-9)10-6-4-8-13-10/h9-10H,3-8H2,1-2H3

InChIKey

FZLHAQMQWDDWFI-UHFFFAOYSA-N

Compound name

2-[2-(oxolan-2-yl)propan-2-yl]oxolane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 4872
Patents: 184.14633 Da
Monoisotopic Mass: 2.2
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]+	185.153606	142.9
[M+Na]+	207.135548	146.9
[M-H]-	183.139054	149.7
[M+NH4]+	202.180153	163.1
[M+K]+	223.109488	148.4
[M+H-H2O]+	167.143590	138.6
[M+HCOO]-	229.144531	160.9
[M+CH3COO]-	243.160181	179.4
[M+Na-2H]-	205.120996	146.4
[M]+	184.14578142	140.3
[M]-	184.14687858	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe