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

literature stripe

Patent stripe

patents stripe