CID 56936228

6z-heneicosen-9-one

Structural Information

Molecular Formula
C21H40O
SMILES
CCCCCCCCCCCCC(=O)C/C=C\CCCCC
InChI
InChI=1S/C21H40O/c1-3-5-7-9-11-12-13-14-16-18-20-21(22)19-17-15-10-8-6-4-2/h15,17H,3-14,16,18-20H2,1-2H3/b17-15-
InChIKey
GWCLAVYIUMAKQA-ICFOKQHNSA-N
Compound name
(Z)-henicos-6-en-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

308.30792 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.31520 187.8
[M+Na]+ 331.29714 189.2
[M-H]- 307.30064 185.4
[M+NH4]+ 326.34174 202.8
[M+K]+ 347.27108 184.8
[M+H-H2O]+ 291.30518 180.8
[M+HCOO]- 353.30612 206.3
[M+CH3COO]- 367.32177 212.8
[M+Na-2H]- 329.28259 185.6
[M]+ 308.30737 194.1
[M]- 308.30847 194.1
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.