CID 4077517

Dipropylene glycol mono-tert-butyl ether

Structural Information

Molecular Formula

C₁₀H₂₂O₃

SMILES

CC(C)(C)OCCCOCCCO

InChI

InChI=1S/C10H22O3/c1-10(2,3)13-9-5-8-12-7-4-6-11/h11H,4-9H2,1-3H3

InChIKey

AAISFOKTTIQKLN-UHFFFAOYSA-N

Compound name

3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 308
Patents: 190.15689 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]+	191.16417	145.3
[M+Na]+	213.14611	153.8
[M+NH4]+	208.19071	151.8
[M+K]+	229.12005	149.1
[M-H]-	189.14961	143.1
[M+Na-2H]-	211.13156	147.4
[M]+	190.15634	145.7
[M]-	190.15744	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe