CID 143625

2,2-dimethoxy-3-methylbutane

Structural Information

Molecular Formula
C7H16O2
SMILES
CC(C)C(C)(OC)OC
InChI
InChI=1S/C7H16O2/c1-6(2)7(3,8-4)9-5/h6H,1-5H3
InChIKey
JEPJBZHWRGLINP-UHFFFAOYSA-N
Compound name
2,2-dimethoxy-3-methylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

132.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.12232 129.0
[M+Na]+ 155.10426 136.1
[M-H]- 131.10776 129.6
[M+NH4]+ 150.14886 151.4
[M+K]+ 171.07820 137.5
[M+H-H2O]+ 115.11230 125.2
[M+HCOO]- 177.11324 150.5
[M+CH3COO]- 191.12889 175.4
[M+Na-2H]- 153.08971 135.1
[M]+ 132.11449 132.6
[M]- 132.11559 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe