CID 144549

2,2-dimethoxy-4,4-dimethylpentane

Structural Information

Molecular Formula
C9H20O2
SMILES
CC(C)(C)CC(C)(OC)OC
InChI
InChI=1S/C9H20O2/c1-8(2,3)7-9(4,10-5)11-6/h7H2,1-6H3
InChIKey
GMAZEGHMGUXQHI-UHFFFAOYSA-N
Compound name
2,2-dimethoxy-4,4-dimethylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.14633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.15361 137.8
[M+Na]+ 183.13555 144.9
[M-H]- 159.13905 138.4
[M+NH4]+ 178.18015 159.4
[M+K]+ 199.10949 145.8
[M+H-H2O]+ 143.14359 134.3
[M+HCOO]- 205.14453 158.2
[M+CH3COO]- 219.16018 180.4
[M+Na-2H]- 181.12100 145.0
[M]+ 160.14578 142.3
[M]- 160.14688 142.3
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.