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

27
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

literature stripe

Patent stripe

patents stripe