CID 3020441

1-(1,1-dimethoxyethoxy)butane

Structural Information

Molecular Formula
C8H18O3
SMILES
CCCCOC(C)(OC)OC
InChI
InChI=1S/C8H18O3/c1-5-6-7-11-8(2,9-3)10-4/h5-7H2,1-4H3
InChIKey
JEQCQCCFONGTMM-UHFFFAOYSA-N
Compound name
1-(1,1-dimethoxyethoxy)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

162.1256 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.132876 136.9
[M+Na]+ 185.114818 143.8
[M-H]- 161.118324 137.2
[M+NH4]+ 180.159423 158.1
[M+K]+ 201.088758 144.9
[M+H-H2O]+ 145.122860 132.5
[M+HCOO]- 207.123801 159.3
[M+CH3COO]- 221.139451 179.6
[M+Na-2H]- 183.100266 143.8
[M]+ 162.12505142 143.0
[M]- 162.12614858 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.