CID 67335

2,2-dibutoxypropane

Structural Information

Molecular Formula

C₁₁H₂₄O₂

SMILES

CCCCOC(C)(C)OCCCC

InChI

InChI=1S/C11H24O2/c1-5-7-9-12-11(3,4)13-10-8-6-2/h5-10H2,1-4H3

InChIKey

CXBFTMAIVDLZLG-UHFFFAOYSA-N

Compound name

1-(2-butoxypropan-2-yloxy)butane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 234
Patents: 188.17763 Da
Monoisotopic Mass: 3.1
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]+	189.18491	148.0
[M+Na]+	211.16685	153.7
[M-H]-	187.17035	147.7
[M+NH4]+	206.21145	168.2
[M+K]+	227.14079	153.5
[M+H-H2O]+	171.17489	143.2
[M+HCOO]-	233.17583	169.2
[M+CH3COO]-	247.19148	186.7
[M+Na-2H]-	209.15230	153.1
[M]+	188.17708	153.7
[M]-	188.17818	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe