CID 56936224

7z-octadecen-11-one

Structural Information

Molecular Formula
C18H34O
SMILES
CCCCCCCC(=O)CC/C=C\CCCCCC
InChI
InChI=1S/C18H34O/c1-3-5-7-9-10-11-13-15-17-18(19)16-14-12-8-6-4-2/h11,13H,3-10,12,14-17H2,1-2H3/b13-11-
InChIKey
LOKJWEJWAVZFDE-QBFSEMIESA-N
Compound name
(Z)-octadec-11-en-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

266.26096 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.26824 174.3
[M+Na]+ 289.25018 177.0
[M-H]- 265.25368 172.5
[M+NH4]+ 284.29478 191.1
[M+K]+ 305.22412 173.4
[M+H-H2O]+ 249.25822 167.9
[M+HCOO]- 311.25916 193.8
[M+CH3COO]- 325.27481 203.8
[M+Na-2H]- 287.23563 173.8
[M]+ 266.26041 179.5
[M]- 266.26151 179.5
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