CID 108232

1,1,3-triethoxyoctane

Structural Information

Molecular Formula
C14H30O3
SMILES
CCCCCC(CC(OCC)OCC)OCC
InChI
InChI=1S/C14H30O3/c1-5-9-10-11-13(15-6-2)12-14(16-7-3)17-8-4/h13-14H,5-12H2,1-4H3
InChIKey
QDAWTKVMQPNMNZ-UHFFFAOYSA-N
Compound name
1,1,3-triethoxyoctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

246.2195 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.22678 165.9
[M+Na]+ 269.20872 169.3
[M-H]- 245.21222 164.8
[M+NH4]+ 264.25332 183.4
[M+K]+ 285.18266 169.3
[M+H-H2O]+ 229.21676 159.7
[M+HCOO]- 291.21770 185.8
[M+CH3COO]- 305.23335 198.8
[M+Na-2H]- 267.19417 166.1
[M]+ 246.21895 173.3
[M]- 246.22005 173.3
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