CID 177843268

Tridecane, 1,1,3-triethoxy-

Structural Information

Molecular Formula
C19H40O3
SMILES
CCCCCCCCCCC(CC(OCC)OCC)OCC
InChI
InChI=1S/C19H40O3/c1-5-9-10-11-12-13-14-15-16-18(20-6-2)17-19(21-7-3)22-8-4/h18-19H,5-17H2,1-4H3
InChIKey
FQAQWESWXAOREG-UHFFFAOYSA-N
Compound name
1,1,3-triethoxytridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.29776 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.305036 188.8
[M+Na]+ 339.286978 190.1
[M-H]- 315.290484 186.7
[M+NH4]+ 334.331583 203.5
[M+K]+ 355.260918 188.9
[M+H-H2O]+ 299.295020 181.6
[M+HCOO]- 361.295961 207.0
[M+CH3COO]- 375.311611 213.6
[M+Na-2H]- 337.272426 186.3
[M]+ 316.29721142 198.1
[M]- 316.29830858 198.1
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.