CID 5283373

6,8,10,12-pentadecatetraenal

Structural Information

Molecular Formula
C15H22O
SMILES
CC/C=C/C=C/C=C/C=C/CCCCC=O
InChI
InChI=1S/C15H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h3-10,15H,2,11-14H2,1H3/b4-3+,6-5+,8-7+,10-9+
InChIKey
ZSDGTOPNWLXOHV-BYFNFPHLSA-N
Compound name
(6E,8E,10E,12E)-pentadeca-6,8,10,12-tetraenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

218.16707 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 155.2
[M+Na]+ 241.15629 160.6
[M-H]- 217.15979 154.3
[M+NH4]+ 236.20089 174.1
[M+K]+ 257.13023 155.6
[M+H-H2O]+ 201.16433 149.8
[M+HCOO]- 263.16527 177.5
[M+CH3COO]- 277.18092 189.4
[M+Na-2H]- 239.14174 157.9
[M]+ 218.16652 157.7
[M]- 218.16762 157.7
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