CID 87813

1,1-dimethoxynonane

Structural Information

Molecular Formula
C11H24O2
SMILES
CCCCCCCCC(OC)OC
InChI
InChI=1S/C11H24O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-10H2,1-3H3
InChIKey
LYLVOCPDQAOQKL-UHFFFAOYSA-N
Compound name
1,1-dimethoxynonane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

258
Patents

188.17763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.18491 148.6
[M+Na]+ 211.16685 153.5
[M-H]- 187.17035 148.0
[M+NH4]+ 206.21145 168.6
[M+K]+ 227.14079 153.4
[M+H-H2O]+ 171.17489 143.1
[M+HCOO]- 233.17583 170.2
[M+CH3COO]- 247.19148 187.1
[M+Na-2H]- 209.15230 151.7
[M]+ 188.17708 154.1
[M]- 188.17818 154.1
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