CID 93787

Icosyloxirane

Structural Information

Molecular Formula
C22H44O
SMILES
CCCCCCCCCCCCCCCCCCCCC1CO1
InChI
InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21-23-22/h22H,2-21H2,1H3
InChIKey
MDJCCLDIFSDFTH-UHFFFAOYSA-N
Compound name
2-icosyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

324.3392 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.346476 188.1
[M+Na]+ 347.328418 191.0
[M-H]- 323.331924 190.6
[M+NH4]+ 342.373023 196.9
[M+K]+ 363.302358 187.2
[M+H-H2O]+ 307.336460 179.5
[M+HCOO]- 369.337401 206.5
[M+CH3COO]- 383.353051 217.3
[M+Na-2H]- 345.313866 188.7
[M]+ 324.33865142 198.4
[M]- 324.33974858 198.4
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

patents stripe