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]+ 237.22130 163.4
[M+Na]+ 259.20324 172.7
[M+NH4]+ 254.24784 169.8
[M+K]+ 275.17718 163.6
[M-H]- 235.20674 162.5
[M+Na-2H]- 257.18869 165.2
[M]+ 236.21347 164.2
[M]- 236.21457 164.2
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.