CID 177843267

Decane, 1,1,3-triethoxy-

Structural Information

Molecular Formula
C16H34O3
SMILES
CCCCCCCC(CC(OCC)OCC)OCC
InChI
InChI=1S/C16H34O3/c1-5-9-10-11-12-13-15(17-6-2)14-16(18-7-3)19-8-4/h15-16H,5-14H2,1-4H3
InChIKey
YITUTITUDLCEGN-UHFFFAOYSA-N
Compound name
1,1,3-triethoxydecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

274.2508 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.25808 175.1
[M+Na]+ 297.24002 177.7
[M-H]- 273.24352 173.6
[M+NH4]+ 292.28462 191.5
[M+K]+ 313.21396 177.2
[M+H-H2O]+ 257.24806 168.5
[M+HCOO]- 319.24900 194.3
[M+CH3COO]- 333.26465 204.7
[M+Na-2H]- 295.22547 174.3
[M]+ 274.25025 183.3
[M]- 274.25135 183.3
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

No patent data available for this compound.