CID 109175

2-butyl-2-ethyl-5,7-dimethyl-3,4-octadienal

Structural Information

Molecular Formula
C16H28O
SMILES
CCCCC(CC)(C=C=C(C)CC(C)C)C=O
InChI
InChI=1S/C16H28O/c1-6-8-10-16(7-2,13-17)11-9-15(5)12-14(3)4/h11,13-14H,6-8,10,12H2,1-5H3
InChIKey
ITZDNKGGBCYBBR-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.21402 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 163.6
[M+Na]+ 259.20324 171.9
[M+NH4]+ 254.24784 169.5
[M+K]+ 275.17718 165.7
[M-H]- 235.20674 161.6
[M+Na-2H]- 257.18869 164.5
[M]+ 236.21347 163.9
[M]- 236.21457 163.9
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.