CID 11196716

9r,10s-epoxy-3z,6z-nonadecadiene

Structural Information

Molecular Formula
C19H34O
SMILES
CCCCCCCCC[C@@H]1[C@@H](O1)C/C=C\C/C=C\CC
InChI
InChI=1S/C19H34O/c1-3-5-7-9-11-13-15-17-19-18(20-19)16-14-12-10-8-6-4-2/h6,8,12,14,18-19H,3-5,7,9-11,13,15-17H2,1-2H3/b8-6-,14-12-/t18-,19+/m0/s1
InChIKey
CEWBAXULNPORDY-HXQMLSCISA-N
Compound name
(2R,3S)-2-nonyl-3-[(2Z,5Z)-octa-2,5-dienyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.26096 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.26824 173.5
[M+Na]+ 301.25018 179.2
[M-H]- 277.25368 177.2
[M+NH4]+ 296.29478 184.4
[M+K]+ 317.22412 174.9
[M+H-H2O]+ 261.25822 165.9
[M+HCOO]- 323.25916 193.2
[M+CH3COO]- 337.27481 207.0
[M+Na-2H]- 299.23563 175.0
[M]+ 278.26041 181.6
[M]- 278.26151 181.6
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.