CID 15643673

1,1,1-trimethoxyoctane

Structural Information

Molecular Formula
C11H24O3
SMILES
CCCCCCCC(OC)(OC)OC
InChI
InChI=1S/C11H24O3/c1-5-6-7-8-9-10-11(12-2,13-3)14-4/h5-10H2,1-4H3
InChIKey
SAEZBIIRXDZCAB-UHFFFAOYSA-N
Compound name
1,1,1-trimethoxyoctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

204.17255 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.17983 151.0
[M+Na]+ 227.16177 156.6
[M-H]- 203.16527 150.6
[M+NH4]+ 222.20637 170.5
[M+K]+ 243.13571 156.9
[M+H-H2O]+ 187.16981 145.9
[M+HCOO]- 249.17075 172.4
[M+CH3COO]- 263.18640 188.6
[M+Na-2H]- 225.14722 156.2
[M]+ 204.17200 158.2
[M]- 204.17310 158.2
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