CID 13532955

(7z,11e)-hexadeca-7,11-dienal

Structural Information

Molecular Formula
C16H28O
SMILES
CCCC/C=C/CC/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/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3/b6-5+,10-9-
InChIKey
PNIJIQLUXSITRW-QMRMAQATSA-N
Compound name
(7Z,11E)-hexadeca-7,11-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

168
Patents

236.21402 Da
Monoisotopic Mass

5.2
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

patents stripe