CID 101118435

(2e,4e,6e,8e,10e,12e,14e,16e)-octadeca-2,4,6,8,10,12,14,16-octaenal

Structural Information

Molecular Formula
C18H20O
SMILES
C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O
InChI
InChI=1S/C18H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+,13-12+,15-14+,17-16+
InChIKey
GSUNCNFQKZBVCL-NZOYRFRLSA-N
Compound name
(2E,4E,6E,8E,10E,12E,14E,16E)-octadeca-2,4,6,8,10,12,14,16-octaenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15141 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15869 162.2
[M+Na]+ 275.14063 167.8
[M-H]- 251.14413 161.0
[M+NH4]+ 270.18523 179.6
[M+K]+ 291.11457 159.6
[M+H-H2O]+ 235.14867 156.7
[M+HCOO]- 297.14961 184.3
[M+CH3COO]- 311.16526 192.4
[M+Na-2H]- 273.12608 163.5
[M]+ 252.15086 162.7
[M]- 252.15196 162.7
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.