CID 165359316

1,1,3-triethoxydodecane

Structural Information

Molecular Formula
C18H38O3
SMILES
CCCCCCCCCC(CC(OCC)OCC)OCC
InChI
InChI=1S/C18H38O3/c1-5-9-10-11-12-13-14-15-17(19-6-2)16-18(20-7-3)21-8-4/h17-18H,5-16H2,1-4H3
InChIKey
AYRUCMLFPNCLDV-UHFFFAOYSA-N
Compound name
1,1,3-triethoxydodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

302.2821 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.28938 184.3
[M+Na]+ 325.27132 186.0
[M-H]- 301.27482 182.4
[M+NH4]+ 320.31592 199.5
[M+K]+ 341.24526 185.0
[M+H-H2O]+ 285.27936 177.3
[M+HCOO]- 347.28030 202.8
[M+CH3COO]- 361.29595 210.6
[M+Na-2H]- 323.25677 182.3
[M]+ 302.28155 193.2
[M]- 302.28265 193.2
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

No patent data available for this compound.