CID 22878724

7r,8s-epoxyoctadecane

Structural Information

Molecular Formula
C18H36O
SMILES
CCCCCCCCCC[C@H]1[C@H](O1)CCCCCC
InChI
InChI=1S/C18H36O/c1-3-5-7-9-10-11-12-14-16-18-17(19-18)15-13-8-6-4-2/h17-18H,3-16H2,1-2H3/t17-,18+/m1/s1
InChIKey
ABMJUFOPOPEJRG-MSOLQXFVSA-N
Compound name
(2S,3R)-2-decyl-3-hexyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 171.3
[M+Na]+ 291.26582 176.6
[M-H]- 267.26932 174.9
[M+NH4]+ 286.31042 182.5
[M+K]+ 307.23976 173.8
[M+H-H2O]+ 251.27386 163.6
[M+HCOO]- 313.27480 190.9
[M+CH3COO]- 327.29045 207.0
[M+Na-2H]- 289.25127 173.2
[M]+ 268.27605 180.5
[M]- 268.27715 180.5
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