CID 117799

1,1-dimethoxypentane

Structural Information

Molecular Formula
C7H16O2
SMILES
CCCCC(OC)OC
InChI
InChI=1S/C7H16O2/c1-4-5-6-7(8-2)9-3/h7H,4-6H2,1-3H3
InChIKey
VMOZJXZMOQSSMH-UHFFFAOYSA-N
Compound name
1,1-dimethoxypentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

235
Patents

132.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.12232 129.8
[M+Na]+ 155.10426 136.4
[M-H]- 131.10776 130.0
[M+NH4]+ 150.14886 152.1
[M+K]+ 171.07820 137.4
[M+H-H2O]+ 115.11230 125.2
[M+HCOO]- 177.11324 152.8
[M+CH3COO]- 191.12889 175.1
[M+Na-2H]- 153.08971 135.2
[M]+ 132.11449 133.8
[M]- 132.11559 133.8
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