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

6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.