CID 75458

Icosanal

Structural Information

Molecular Formula
C20H40O
SMILES
CCCCCCCCCCCCCCCCCCCC=O
InChI
InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h20H,2-19H2,1H3
InChIKey
FWBUWJHWAKTPHI-UHFFFAOYSA-N
Compound name
icosanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5184
Patents

296.30792 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.31520 183.9
[M+Na]+ 319.29714 185.6
[M-H]- 295.30064 181.5
[M+NH4]+ 314.34174 199.4
[M+K]+ 335.27108 181.5
[M+H-H2O]+ 279.30518 176.8
[M+HCOO]- 341.30612 203.4
[M+CH3COO]- 355.32177 210.6
[M+Na-2H]- 317.28259 183.5
[M]+ 296.30737 191.3
[M]- 296.30847 191.3
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