CID 157009878

4-ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al

Structural Information

Molecular Formula
C16H26O
SMILES
CCC(C/C=C(\C)/CCC=C(C)C)/C=C/C=O
InChI
InChI=1S/C16H26O/c1-5-16(10-7-13-17)12-11-15(4)9-6-8-14(2)3/h7-8,10-11,13,16H,5-6,9,12H2,1-4H3/b10-7+,15-11+
InChIKey
FKDMTOCPIDCTDG-UNRYZTPYSA-N
Compound name
(2E,6E)-4-ethyl-7,11-dimethyldodeca-2,6,10-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.19836 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 162.4
[M+Na]+ 257.187578 166.3
[M-H]- 233.191084 161.4
[M+NH4]+ 252.232183 180.4
[M+K]+ 273.161518 162.9
[M+H-H2O]+ 217.195620 156.9
[M+HCOO]- 279.196561 181.1
[M+CH3COO]- 293.212211 196.3
[M+Na-2H]- 255.173026 160.6
[M]+ 234.19781142 164.0
[M]- 234.19890858 164.0
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.