CID 5283369

5,8-tetradecadienal

Structural Information

Molecular Formula
C14H24O
SMILES
CCCCC/C=C/C/C=C/CCCC=O
InChI
InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h6-7,9-10,14H,2-5,8,11-13H2,1H3/b7-6+,10-9+
InChIKey
NGKCMQUFXPQZQW-AVQMFFATSA-N
Compound name
(5E,8E)-tetradeca-5,8-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

208.18271 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 153.8
[M+Na]+ 231.17193 158.8
[M-H]- 207.17543 152.9
[M+NH4]+ 226.21653 173.1
[M+K]+ 247.14587 155.3
[M+H-H2O]+ 191.17997 148.3
[M+HCOO]- 253.18091 175.9
[M+CH3COO]- 267.19656 189.5
[M+Na-2H]- 229.15738 156.8
[M]+ 208.18216 157.4
[M]- 208.18326 157.4
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