CID 61431

1,1-dimethoxyoctane

Structural Information

Molecular Formula
C10H22O2
SMILES
CCCCCCCC(OC)OC
InChI
InChI=1S/C10H22O2/c1-4-5-6-7-8-9-10(11-2)12-3/h10H,4-9H2,1-3H3
InChIKey
BZOOCKAFKVYAOZ-UHFFFAOYSA-N
Compound name
1,1-dimethoxyoctane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

631
Patents

174.16199 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.16927 142.0
[M+Na]+ 197.15121 151.5
[M+NH4]+ 192.19581 149.5
[M+K]+ 213.12515 145.5
[M-H]- 173.15471 141.3
[M+Na-2H]- 195.13666 144.9
[M]+ 174.16144 143.0
[M]- 174.16254 143.0
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