CID 122217661

(10z,13z,16r)-16-propyl-1-oxacyclohexadeca-10,13-dien-2-one

Structural Information

Molecular Formula
C18H30O2
SMILES
CCC[C@@H]1C/C=C\C/C=C\CCCCCCCC(=O)O1
InChI
InChI=1S/C18H30O2/c1-2-14-17-15-12-10-8-6-4-3-5-7-9-11-13-16-18(19)20-17/h4,6,10,12,17H,2-3,5,7-9,11,13-16H2,1H3/b6-4-,12-10-/t17-/m1/s1
InChIKey
IRPJCUWMPPZCJN-SPSBLGDNSA-N
Compound name
(10Z,13Z,16R)-16-propyl-1-oxacyclohexadeca-10,13-dien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.22458 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23186 167.0
[M+Na]+ 301.21380 168.8
[M-H]- 277.21730 168.6
[M+NH4]+ 296.25840 178.3
[M+K]+ 317.18774 168.1
[M+H-H2O]+ 261.22184 163.7
[M+HCOO]- 323.22278 182.4
[M+CH3COO]- 337.23843 191.1
[M+Na-2H]- 299.19925 167.7
[M]+ 278.22403 158.6
[M]- 278.22513 158.6
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.