CID 56936225

6z-eicosen-11-one

Structural Information

Molecular Formula
C20H38O
SMILES
CCCCCCCCCC(=O)CCC/C=C\CCCCC
InChI
InChI=1S/C20H38O/c1-3-5-7-9-11-13-15-17-19-20(21)18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-19H2,1-2H3/b13-11-
InChIKey
IQOHODMCQFHPFM-QBFSEMIESA-N
Compound name
(Z)-icos-14-en-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

294.29227 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.29955 183.3
[M+Na]+ 317.28149 185.2
[M-H]- 293.28499 181.1
[M+NH4]+ 312.32609 198.9
[M+K]+ 333.25543 181.0
[M+H-H2O]+ 277.28953 176.5
[M+HCOO]- 339.29047 202.1
[M+CH3COO]- 353.30612 209.8
[M+Na-2H]- 315.26694 181.7
[M]+ 294.29172 189.3
[M]- 294.29282 189.3
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