CID 3023283

2-ethylundecyl acetate

Structural Information

Molecular Formula
C15H30O2
SMILES
CCCCCCCCCC(CC)COC(=O)C
InChI
InChI=1S/C15H30O2/c1-4-6-7-8-9-10-11-12-15(5-2)13-17-14(3)16/h15H,4-13H2,1-3H3
InChIKey
KWUPPUGMLVAFFF-UHFFFAOYSA-N
Compound name
2-ethylundecyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.22458 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.231856 166.1
[M+Na]+ 265.213798 169.5
[M-H]- 241.217304 164.9
[M+NH4]+ 260.258403 183.8
[M+K]+ 281.187738 168.2
[M+H-H2O]+ 225.221840 160.0
[M+HCOO]- 287.222781 185.6
[M+CH3COO]- 301.238431 198.4
[M+Na-2H]- 263.199246 165.8
[M]+ 242.22403142 171.6
[M]- 242.22512858 171.6
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.