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 162.9
[M+Na]+ 259.20324 167.1
[M-H]- 235.20674 161.5
[M+NH4]+ 254.24784 181.0
[M+K]+ 275.17718 162.9
[M+H-H2O]+ 219.21128 157.0
[M+HCOO]- 281.21222 184.3
[M+CH3COO]- 295.22787 195.6
[M+Na-2H]- 257.18869 164.8
[M]+ 236.21347 167.3
[M]- 236.21457 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.