CID 137941

2,2-dimethoxybutane

Structural Information

Molecular Formula
C6H14O2
SMILES
CCC(C)(OC)OC
InChI
InChI=1S/C6H14O2/c1-5-6(2,7-3)8-4/h5H2,1-4H3
InChIKey
OXQHJIGWZNIQDS-UHFFFAOYSA-N
Compound name
2,2-dimethoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

683
Patents

118.09938 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.106656 124.5
[M+Na]+ 141.088598 132.2
[M-H]- 117.092104 125.2
[M+NH4]+ 136.133203 147.5
[M+K]+ 157.062538 133.5
[M+H-H2O]+ 101.096640 120.7
[M+HCOO]- 163.097581 147.3
[M+CH3COO]- 177.113231 171.6
[M+Na-2H]- 139.074046 132.4
[M]+ 118.09883142 128.3
[M]- 118.09992858 128.3
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.