CID 22210

1,1-dibutoxybutane

Structural Information

Molecular Formula

C₁₂H₂₆O₂

SMILES

CCCCOC(CCC)OCCCC

InChI

InChI=1S/C12H26O2/c1-4-7-10-13-12(9-6-3)14-11-8-5-2/h12H,4-11H2,1-3H3

InChIKey

WQRBJFZKPWPIJD-UHFFFAOYSA-N

Compound name

1,1-dibutoxybutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 224
Patents: 202.19328 Da
Monoisotopic Mass: 3.8
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]+	203.20056	150.9
[M+Na]+	225.18250	160.0
[M+NH4]+	220.22710	158.0
[M+K]+	241.15644	153.4
[M-H]-	201.18600	150.1
[M+Na-2H]-	223.16795	153.2
[M]+	202.19273	151.7
[M]-	202.19383	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe