CID 56936264

6r,7s-epoxy-3z,9z-heneicosadiene

Structural Information

Molecular Formula
C21H38O
SMILES
CCCCCCCCCCC/C=C\C[C@@H]1[C@@H](O1)C/C=C\CC
InChI
InChI=1S/C21H38O/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-21-20(22-21)18-16-6-4-2/h6,15-17,20-21H,3-5,7-14,18-19H2,1-2H3/b16-6-,17-15-/t20-,21+/m0/s1
InChIKey
JZOOOEAWXPHPCD-LIDFVZESSA-N
Compound name
(2S,3R)-2-[(Z)-pent-2-enyl]-3-[(Z)-tetradec-2-enyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.29227 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.29955 181.8
[M+Na]+ 329.28149 186.7
[M-H]- 305.28499 185.1
[M+NH4]+ 324.32609 191.6
[M+K]+ 345.25543 181.9
[M+H-H2O]+ 289.28953 173.9
[M+HCOO]- 351.29047 200.9
[M+CH3COO]- 365.30612 212.8
[M+Na-2H]- 327.26694 182.3
[M]+ 306.29172 190.6
[M]- 306.29282 190.6
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.