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

1
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

patents stripe