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]+ 161.153606 137.8
[M+Na]+ 183.135548 144.9
[M-H]- 159.139054 138.4
[M+NH4]+ 178.180153 159.4
[M+K]+ 199.109488 145.8
[M+H-H2O]+ 143.143590 134.3
[M+HCOO]- 205.144531 158.2
[M+CH3COO]- 219.160181 180.4
[M+Na-2H]- 181.120996 145.0
[M]+ 160.14578142 142.3
[M]- 160.14687858 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.