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]+ 235.20564 162.4
[M+Na]+ 257.18758 166.3
[M-H]- 233.19108 161.4
[M+NH4]+ 252.23218 180.4
[M+K]+ 273.16152 162.9
[M+H-H2O]+ 217.19562 156.9
[M+HCOO]- 279.19656 181.1
[M+CH3COO]- 293.21221 196.3
[M+Na-2H]- 255.17303 160.6
[M]+ 234.19781 164.0
[M]- 234.19891 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.