CID 5362566

67715-79-1

Structural Information

Molecular Formula

C₁₁H₂₄O₄

SMILES

CCOC(C)OCC(C)OC(C)OCC

InChI

InChI=1S/C11H24O4/c1-6-12-10(4)14-8-9(3)15-11(5)13-7-2/h9-11H,6-8H2,1-5H3

InChIKey

TZVJNJVDGXFMCF-UHFFFAOYSA-N

Compound name

1,2-bis(1-ethoxyethoxy)propane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 50
Patents: 220.16747 Da
Monoisotopic Mass: 1.9
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]+	221.17475	154.7
[M+Na]+	243.15669	159.2
[M-H]-	219.16019	154.3
[M+NH4]+	238.20129	173.2
[M+K]+	259.13063	161.0
[M+H-H2O]+	203.16473	149.0
[M+HCOO]-	265.16567	174.9
[M+CH3COO]-	279.18132	192.7
[M+Na-2H]-	241.14214	155.4
[M]+	220.16692	161.9
[M]-	220.16802	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe