CID 101118436

Chebi:186447

Structural Information

Molecular Formula
C20H22O
SMILES
C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O
InChI
InChI=1S/C20H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+,13-12+,15-14+,17-16+,19-18+
InChIKey
ASPHZFNJNFDRCT-HRUYHGMMSA-N
Compound name
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-icosa-2,4,6,8,10,12,14,16,18-nonaenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16705 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17433 169.3
[M+Na]+ 301.15627 174.5
[M-H]- 277.15977 167.8
[M+NH4]+ 296.20087 185.7
[M+K]+ 317.13021 165.2
[M+H-H2O]+ 261.16431 163.6
[M+HCOO]- 323.16525 191.0
[M+CH3COO]- 337.18090 197.0
[M+Na-2H]- 299.14172 169.6
[M]+ 278.16650 169.8
[M]- 278.16760 169.8
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.