CID 208863

1,1-dibutoxyhexane

Structural Information

Molecular Formula

C₁₄H₃₀O₂

SMILES

CCCCCC(OCCCC)OCCCC

InChI

InChI=1S/C14H30O2/c1-4-7-10-11-14(15-12-8-5-2)16-13-9-6-3/h14H,4-13H2,1-3H3

InChIKey

XXIXJIRNHGJXBS-UHFFFAOYSA-N

Compound name

1,1-dibutoxyhexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 66
Patents: 230.22458 Da
Monoisotopic Mass: 4.9
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]+	231.231856	162.5
[M+Na]+	253.213798	166.1
[M-H]-	229.217304	161.3
[M+NH4]+	248.258403	180.7
[M+K]+	269.187738	165.2
[M+H-H2O]+	213.221840	156.4
[M+HCOO]-	275.222781	183.1
[M+CH3COO]-	289.238431	196.1
[M+Na-2H]-	251.199246	163.9
[M]+	230.22403142	169.1
[M]-	230.22512858	169.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe