CID 25067736

888042-38-4

Structural Information

Molecular Formula
C16H26O
SMILES
CC/C=C/C=C\CC/C=C\CCCCCC=O
InChI
InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,9-10,16H,2,7-8,11-15H2,1H3/b4-3+,6-5-,10-9-
InChIKey
SXCDAEFYAJTNJF-YURISSCBSA-N
Compound name
(7Z,11Z,13E)-hexadeca-7,11,13-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

897
Patents

234.19836 Da
Monoisotopic Mass

4.7
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

literature stripe

Patent stripe

patents stripe