CID 129866842

(6e,11z)-6,11-octadecadienal

Structural Information

Molecular Formula
C18H32O
SMILES
CCCCCC/C=C\CCC/C=C/CCCCC=O
InChI
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h7-8,12-13,18H,2-6,9-11,14-17H2,1H3/b8-7-,13-12+
InChIKey
AMVROEXDYFQCMJ-LQZWXTFHSA-N
Compound name
(6E,11Z)-octadeca-6,11-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.24533 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.25261 171.9
[M+Na]+ 287.23455 175.2
[M-H]- 263.23805 170.1
[M+NH4]+ 282.27915 188.8
[M+K]+ 303.20849 170.5
[M+H-H2O]+ 247.24259 165.5
[M+HCOO]- 309.24353 192.6
[M+CH3COO]- 323.25918 201.6
[M+Na-2H]- 285.22000 172.7
[M]+ 264.24478 177.0
[M]- 264.24588 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