CID 5365667

9,17-octadecadienal (z)

Structural Information

Molecular Formula
C18H32O
SMILES
C=CCCCCCC/C=C\CCCCCCCC=O
InChI
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2,9-10,18H,1,3-8,11-17H2/b10-9-
InChIKey
RXORHYFDDNAOQS-KTKRTIGZSA-N
Compound name
(9Z)-octadeca-9,17-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

264.24533 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.25261 171.6
[M+Na]+ 287.23455 174.9
[M-H]- 263.23805 169.8
[M+NH4]+ 282.27915 188.5
[M+K]+ 303.20849 170.2
[M+H-H2O]+ 247.24259 165.2
[M+HCOO]- 309.24353 192.4
[M+CH3COO]- 323.25918 202.3
[M+Na-2H]- 285.22000 172.5
[M]+ 264.24478 176.8
[M]- 264.24588 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.