CID 86768

2-tridecyloxirane

Structural Information

Molecular Formula
C15H30O
SMILES
CCCCCCCCCCCCCC1CO1
InChI
InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16-15/h15H,2-14H2,1H3
InChIKey
QMIBIXKZPBEGTE-UHFFFAOYSA-N
Compound name
2-tridecyloxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1026
Patents

226.22966 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.236936 159.1
[M+Na]+ 249.218878 164.7
[M-H]- 225.222384 162.9
[M+NH4]+ 244.263483 171.6
[M+K]+ 265.192818 162.8
[M+H-H2O]+ 209.226920 151.6
[M+HCOO]- 271.227861 179.7
[M+CH3COO]- 285.243511 197.4
[M+Na-2H]- 247.204326 163.2
[M]+ 226.22911142 166.8
[M]- 226.23020858 166.8
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