CID 5744326

94247-83-3

Structural Information

Molecular Formula
C18H36O2
SMILES
CCCCCCCCCCCCCC(C)OCC1CO1
InChI
InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)19-15-18-16-20-18/h17-18H,3-16H2,1-2H3
InChIKey
GHJFPZKLWAMOSP-UHFFFAOYSA-N
Compound name
2-(pentadecan-2-yloxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.27155 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.278826 175.7
[M+Na]+ 307.260768 179.9
[M-H]- 283.264274 179.0
[M+NH4]+ 302.305373 185.9
[M+K]+ 323.234708 177.7
[M+H-H2O]+ 267.268810 167.7
[M+HCOO]- 329.269751 194.5
[M+CH3COO]- 343.285401 208.4
[M+Na-2H]- 305.246216 177.0
[M]+ 284.27100142 185.3
[M]- 284.27209858 185.3
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.