CID 146170883

(2e,12z)-hexadeca-2,12-dienal

Structural Information

Molecular Formula
C16H28O
SMILES
CCC/C=C\CCCCCCCC/C=C/C=O
InChI
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-5,14-16H,2-3,6-13H2,1H3/b5-4-,15-14+
InChIKey
LONIPGWTNKHADU-YQMRQDNGSA-N
Compound name
(2E,12Z)-hexadeca-2,12-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.21402 Da
Monoisotopic Mass

6.0
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

No patent data available for this compound.