CID 3023284

2-ethylundecyl formate

Structural Information

Molecular Formula
C14H28O2
SMILES
CCCCCCCCCC(CC)COC=O
InChI
InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-14(4-2)12-16-13-15/h13-14H,3-12H2,1-2H3
InChIKey
UEOVEXIOAPBXAW-UHFFFAOYSA-N
Compound name
2-ethylundecyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.20892 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.216196 160.7
[M+Na]+ 251.198138 164.7
[M-H]- 227.201644 159.6
[M+NH4]+ 246.242743 179.0
[M+K]+ 267.172078 163.2
[M+H-H2O]+ 211.206180 154.7
[M+HCOO]- 273.207121 181.6
[M+CH3COO]- 287.222771 195.2
[M+Na-2H]- 249.183586 162.3
[M]+ 228.20837142 166.7
[M]- 228.20946858 166.7
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.