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

4
Annotation Hits: 0
References: 283
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]+	191.164166	147.3
[M+Na]+	213.146108	152.9
[M-H]-	189.149614	145.7
[M+NH4]+	208.190713	166.6
[M+K]+	229.120048	152.5
[M+H-H2O]+	173.154150	142.6
[M+HCOO]-	235.155091	167.5
[M+CH3COO]-	249.170741	182.2
[M+Na-2H]-	211.131556	152.4
[M]+	190.15634142	152.0
[M]-	190.15743858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe