CID 5283380

4,6,11-hexadecatrienal

Structural Information

Molecular Formula
C16H26O
SMILES
CCCC/C=C/CCC/C=C/C=C/CCC=O
InChI
InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,10-13,16H,2-4,7-9,14-15H2,1H3/b6-5+,11-10+,13-12+
InChIKey
FEMMLZBDOKRYQM-ONVRLIGQSA-N
Compound name
(4E,6E,11E)-hexadeca-4,6,11-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

234.19836 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 161.3
[M+Na]+ 257.18758 165.9
[M-H]- 233.19108 160.1
[M+NH4]+ 252.23218 179.5
[M+K]+ 273.16152 161.2
[M+H-H2O]+ 217.19562 155.5
[M+HCOO]- 279.19656 183.0
[M+CH3COO]- 293.21221 194.0
[M+Na-2H]- 255.17303 163.3
[M]+ 234.19781 164.9
[M]- 234.19891 164.9
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

patents stripe