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

249
Patents

204.17255 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.179826 151.0
[M+Na]+ 227.161768 156.6
[M-H]- 203.165274 150.6
[M+NH4]+ 222.206373 170.5
[M+K]+ 243.135708 156.9
[M+H-H2O]+ 187.169810 145.9
[M+HCOO]- 249.170751 172.4
[M+CH3COO]- 263.186401 188.6
[M+Na-2H]- 225.147216 156.2
[M]+ 204.17200142 158.2
[M]- 204.17309858 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