CID 14680474

7z-tricosen-11-one

Structural Information

Molecular Formula
C23H44O
SMILES
CCCCCCCCCCCCC(=O)CC/C=C\CCCCCC
InChI
InChI=1S/C23H44O/c1-3-5-7-9-11-13-14-16-18-20-22-23(24)21-19-17-15-12-10-8-6-4-2/h15,17H,3-14,16,18-22H2,1-2H3/b17-15-
InChIKey
ZWPNQOVRXFKIGM-ICFOKQHNSA-N
Compound name
(Z)-tricos-7-en-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.3392 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.34648 196.7
[M+Na]+ 359.32842 197.3
[M-H]- 335.33192 193.9
[M+NH4]+ 354.37302 210.6
[M+K]+ 375.30236 192.3
[M+H-H2O]+ 319.33646 189.3
[M+HCOO]- 381.33740 214.5
[M+CH3COO]- 395.35305 218.7
[M+Na-2H]- 357.31387 193.4
[M]+ 336.33865 203.8
[M]- 336.33975 203.8
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

No patent data available for this compound.