CID 143318

2,2-dimethoxypentane

Structural Information

Molecular Formula
C7H16O2
SMILES
CCCC(C)(OC)OC
InChI
InChI=1S/C7H16O2/c1-5-6-7(2,8-3)9-4/h5-6H2,1-4H3
InChIKey
IRAHAFAANXPSRY-UHFFFAOYSA-N
Compound name
2,2-dimethoxypentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

132.11504 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.12232 129.2
[M+Na]+ 155.10426 136.6
[M-H]- 131.10776 129.7
[M+NH4]+ 150.14886 151.7
[M+K]+ 171.07820 137.5
[M+H-H2O]+ 115.11230 125.3
[M+HCOO]- 177.11324 151.7
[M+CH3COO]- 191.12889 174.6
[M+Na-2H]- 153.08971 136.6
[M]+ 132.11449 133.4
[M]- 132.11559 133.4
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

patents stripe