CID 4621500

9,10-epoxyoctadecane

Structural Information

Molecular Formula
C18H36O
SMILES
CCCCCCCCC1C(O1)CCCCCCCC
InChI
InChI=1S/C18H36O/c1-3-5-7-9-11-13-15-17-18(19-17)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChIKey
WAEWJBWJSRGWFY-UHFFFAOYSA-N
Compound name
2,3-dioctyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

268.2766 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.28388 165.2
[M+Na]+ 291.26582 176.3
[M+NH4]+ 286.31042 173.0
[M+K]+ 307.23976 169.7
[M-H]- 267.26932 174.4
[M+Na-2H]- 289.25127 170.5
[M]+ 268.27605 170.4
[M]- 268.27715 170.4
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