CID 146679297

37yc22xe98

Structural Information

Molecular Formula

C₁₂H₂₆O₂

SMILES

CCOC(CC(C)C)OCCC(C)C

InChI

InChI=1S/C12H26O2/c1-6-13-12(9-11(4)5)14-8-7-10(2)3/h10-12H,6-9H2,1-5H3

InChIKey

UYMMPSOSUQAQTL-UHFFFAOYSA-N

Compound name

1-ethoxy-3-methyl-1-(3-methylbutoxy)butane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
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	153.8
[M+Na]+	225.18250	157.9
[M-H]-	201.18600	153.2
[M+NH4]+	220.22710	173.1
[M+K]+	241.15644	158.5
[M+H-H2O]+	185.19054	148.4
[M+HCOO]-	247.19148	173.1
[M+CH3COO]-	261.20713	191.8
[M+Na-2H]-	223.16795	153.8
[M]+	202.19273	158.3
[M]-	202.19383	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe