CID 131753110

(8e,11z)-heptadeca-8,11-dienal

Structural Information

Molecular Formula
C17H30O
SMILES
CCCCC/C=C\C/C=C/CCCCCCC=O
InChI
InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h6-7,9-10,17H,2-5,8,11-16H2,1H3/b7-6-,10-9+
InChIKey
JEBIMSVVDVTZIY-IXWMQOLASA-N
Compound name
(8E,11Z)-heptadeca-8,11-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.22966 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.236936 167.4
[M+Na]+ 273.218878 171.1
[M-H]- 249.222384 165.8
[M+NH4]+ 268.263483 184.9
[M+K]+ 289.192818 166.7
[M+H-H2O]+ 233.226920 161.2
[M+HCOO]- 295.227861 188.5
[M+CH3COO]- 309.243511 198.6
[M+Na-2H]- 271.204326 168.8
[M]+ 250.22911142 172.1
[M]- 250.23020858 172.1
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