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]+ 317.30504 188.8
[M+Na]+ 339.28698 190.1
[M-H]- 315.29048 186.7
[M+NH4]+ 334.33158 203.5
[M+K]+ 355.26092 188.9
[M+H-H2O]+ 299.29502 181.6
[M+HCOO]- 361.29596 207.0
[M+CH3COO]- 375.31161 213.6
[M+Na-2H]- 337.27243 186.3
[M]+ 316.29721 198.1
[M]- 316.29831 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.