CID 15708134

9r,10s-epoxy-6z-eicosene

Structural Information

Molecular Formula
C20H38O
SMILES
CCCCCCCCCC[C@@H]1[C@@H](O1)C/C=C\CCCCC
InChI
InChI=1S/C20H38O/c1-3-5-7-9-11-12-14-16-18-20-19(21-20)17-15-13-10-8-6-4-2/h13,15,19-20H,3-12,14,16-18H2,1-2H3/b15-13-/t19-,20+/m0/s1
InChIKey
JJKUQABYACBLID-MJULWQABSA-N
Compound name
(2R,3S)-2-decyl-3-[(Z)-oct-2-enyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.29227 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.29955 178.7
[M+Na]+ 317.28149 183.6
[M-H]- 293.28499 182.0
[M+NH4]+ 312.32609 188.9
[M+K]+ 333.25543 179.6
[M+H-H2O]+ 277.28953 170.8
[M+HCOO]- 339.29047 197.8
[M+CH3COO]- 353.30612 211.3
[M+Na-2H]- 315.26694 179.6
[M]+ 294.29172 187.8
[M]- 294.29282 187.8
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.