CID 3015555

31334-48-2

Structural Information

Molecular Formula

C₁₀H₂₂O₃

SMILES

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

InChI

InChI=1S/C10H22O3/c1-8(2)5-12-7-10(4)13-6-9(3)11/h8-11H,5-7H2,1-4H3

InChIKey

IRMJKQPPTUZTNE-UHFFFAOYSA-N

Compound name

1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 468
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]+	191.164166	148.1
[M+Na]+	213.146108	152.5
[M-H]-	189.149614	146.4
[M+NH4]+	208.190713	167.1
[M+K]+	229.120048	153.2
[M+H-H2O]+	173.154150	143.0
[M+HCOO]-	235.155091	166.8
[M+CH3COO]-	249.170741	185.1
[M+Na-2H]-	211.131556	148.7
[M]+	190.15634142	151.4
[M]-	190.15743858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe