CID 53427441

Octadeca-2,13-dienal

Structural Information

Molecular Formula
C18H32O
SMILES
CCCCC=CCCCCCCCCCC=CC=O
InChI
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,16-18H,2-4,7-15H2,1H3
InChIKey
NCFULMZVHNTQOK-UHFFFAOYSA-N
Compound name
octadeca-2,13-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

88
Patents

264.24533 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.252606 171.9
[M+Na]+ 287.234548 175.2
[M-H]- 263.238054 170.1
[M+NH4]+ 282.279153 188.8
[M+K]+ 303.208488 170.5
[M+H-H2O]+ 247.242590 165.5
[M+HCOO]- 309.243531 192.6
[M+CH3COO]- 323.259181 201.6
[M+Na-2H]- 285.219996 172.7
[M]+ 264.24478142 177.0
[M]- 264.24587858 177.0
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