CID 6453146

55187-29-6

Structural Information

Molecular Formula

C₁₁H₂₀O₄

SMILES

CC(C)(CCOCC1CO1)OCC2CO2

InChI

InChI=1S/C11H20O4/c1-11(2,15-8-10-7-14-10)3-4-12-5-9-6-13-9/h9-10H,3-8H2,1-2H3

InChIKey

IFMZOBOURYRZRO-UHFFFAOYSA-N

Compound name

2-[[2-methyl-4-(oxiran-2-ylmethoxy)butan-2-yl]oxymethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 216.13615 Da
Monoisotopic Mass: 0.3
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]+	217.143426	158.5
[M+Na]+	239.125368	165.0
[M-H]-	215.128874	166.6
[M+NH4]+	234.169973	163.9
[M+K]+	255.099308	166.8
[M+H-H2O]+	199.133410	151.7
[M+HCOO]-	261.134351	175.5
[M+CH3COO]-	275.150001	199.1
[M+Na-2H]-	237.110816	164.0
[M]+	216.13560142	168.3
[M]-	216.13669858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe