CID 107212

4039-63-8

Structural Information

Molecular Formula

C₉H₂₀O₃

SMILES

CC(C)OCC(C)OCC(C)O

InChI

InChI=1S/C9H20O3/c1-7(2)11-6-9(4)12-5-8(3)10/h7-10H,5-6H2,1-4H3

InChIKey

FWYJECFVUAJCPF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3409
Patents: 176.14125 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]+	177.148526	143.4
[M+Na]+	199.130468	148.2
[M-H]-	175.133974	141.9
[M+NH4]+	194.175073	162.9
[M+K]+	215.104408	149.2
[M+H-H2O]+	159.138510	138.5
[M+HCOO]-	221.139451	162.4
[M+CH3COO]-	235.155101	182.1
[M+Na-2H]-	197.115916	144.5
[M]+	176.14070142	146.3
[M]-	176.14179858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe