CID 5364717

(z)-6-heneicosen-11-one

Structural Information

Molecular Formula
C21H40O
SMILES
CCCCCCCCCCC(=O)CCC/C=C\CCCCC
InChI
InChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-20H2,1-2H3/b13-11-
InChIKey
YLNMHCDVFVPONQ-QBFSEMIESA-N
Compound name
(Z)-henicos-6-en-11-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

126
Patents

308.30792 Da
Monoisotopic Mass

8.3
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

literature stripe

Patent stripe

patents stripe