CID 21997131

134358-56-8

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

C1CC(OC1)COCC2CCCO2

InChI

InChI=1S/C10H18O3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h9-10H,1-8H2

InChIKey

VBCKYDVWOPZOBA-UHFFFAOYSA-N

Compound name

2-(oxolan-2-ylmethoxymethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 907
Patents: 186.1256 Da
Monoisotopic Mass: 0.9
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]+	187.132876	141.9
[M+Na]+	209.114818	145.8
[M-H]-	185.118324	148.5
[M+NH4]+	204.159423	161.8
[M+K]+	225.088758	147.6
[M+H-H2O]+	169.122860	136.8
[M+HCOO]-	231.123801	162.0
[M+CH3COO]-	245.139451	178.0
[M+Na-2H]-	207.100266	145.1
[M]+	186.12505142	140.9
[M]-	186.12614858	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe