CID 24752

29911-28-2

Structural Information

Molecular Formula

C₁₀H₂₂O₃

SMILES

CCCCOCC(C)OCC(C)O

InChI

InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3

InChIKey

CUVLMZNMSPJDON-UHFFFAOYSA-N

Compound name

1-(1-butoxypropan-2-yloxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 36494
Patents: 190.15689 Da
Monoisotopic Mass: 1.4
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]+	191.16417	145.7
[M+Na]+	213.14611	153.8
[M+NH4]+	208.19071	152.1
[M+K]+	229.12005	149.4
[M-H]-	189.14961	143.6
[M+Na-2H]-	211.13156	147.1
[M]+	190.15634	145.9
[M]-	190.15744	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe