CID 3086302

Ec 700-263-8

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC(C)([C@@H]1CCCO1)[C@@H]2CCCO2

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/t9-,10-/m0/s1

InChIKey

FZLHAQMQWDDWFI-UWVGGRQHSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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]+	185.15361	142.0
[M+Na]+	207.13555	150.4
[M+NH4]+	202.18015	150.8
[M+K]+	223.10949	149.8
[M-H]-	183.13905	146.6
[M+Na-2H]-	205.12100	145.4
[M]+	184.14578	144.4
[M]-	184.14688	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe