CID 12644163

Nonane, 1,1,3-triethoxy-

Structural Information

Molecular Formula
C15H32O3
SMILES
CCCCCCC(CC(OCC)OCC)OCC
InChI
InChI=1S/C15H32O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h14-15H,5-13H2,1-4H3
InChIKey
JWXUYKOCPKYCHJ-UHFFFAOYSA-N
Compound name
1,1,3-triethoxynonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.23514 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.24242 170.5
[M+Na]+ 283.22436 173.5
[M-H]- 259.22786 169.2
[M+NH4]+ 278.26896 187.4
[M+K]+ 299.19830 173.3
[M+H-H2O]+ 243.23240 164.1
[M+HCOO]- 305.23334 190.1
[M+CH3COO]- 319.24899 201.8
[M+Na-2H]- 281.20981 170.2
[M]+ 260.23459 178.3
[M]- 260.23569 178.3
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