CID 11809018

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

Structural Information

Molecular Formula
C21H40O
SMILES
CCCCCCCCCCC[C@@H]1[C@@H](O1)C/C=C\CCCCC
InChI
InChI=1S/C21H40O/c1-3-5-7-9-11-12-13-15-17-19-21-20(22-21)18-16-14-10-8-6-4-2/h14,16,20-21H,3-13,15,17-19H2,1-2H3/b16-14-/t20-,21+/m0/s1
InChIKey
FUYHMWQJTBTPIW-NWXHSOSZSA-N
Compound name
(2S,3R)-2-[(Z)-oct-2-enyl]-3-undecyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

308.30792 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.31520 182.8
[M+Na]+ 331.29714 187.3
[M-H]- 307.30064 186.0
[M+NH4]+ 326.34174 192.5
[M+K]+ 347.27108 183.1
[M+H-H2O]+ 291.30518 174.7
[M+HCOO]- 353.30612 201.7
[M+CH3COO]- 367.32177 214.1
[M+Na-2H]- 329.28259 183.2
[M]+ 308.30737 192.3
[M]- 308.30847 192.3
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.