CID 5365665

Cis,cis-7,10,-hexadecadienal

Structural Information

Molecular Formula
C16H28O
SMILES
CCCCC/C=C\C/C=C\CCCCCC=O
InChI
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-7,9-10,16H,2-5,8,11-15H2,1H3/b7-6-,10-9-
InChIKey
WIWVOAOSGQCJSL-HZJYTTRNSA-N
Compound name
(7Z,10Z)-hexadeca-7,10-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

236.21402 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.221296 162.9
[M+Na]+ 259.203238 167.1
[M-H]- 235.206744 161.5
[M+NH4]+ 254.247843 181.0
[M+K]+ 275.177178 162.9
[M+H-H2O]+ 219.211280 157.0
[M+HCOO]- 281.212221 184.3
[M+CH3COO]- 295.227871 195.6
[M+Na-2H]- 257.188686 164.8
[M]+ 236.21347142 167.3
[M]- 236.21456858 167.3
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