CID 5743830

Octacosyloxirane

Structural Information

Molecular Formula
C30H60O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CO1
InChI
InChI=1S/C30H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-29-31-30/h30H,2-29H2,1H3
InChIKey
RTUMGNFSOFMUTE-UHFFFAOYSA-N
Compound name
2-octacosyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

436.46442 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.471696 220.1
[M+Na]+ 459.453638 219.7
[M-H]- 435.457144 221.0
[M+NH4]+ 454.498243 224.5
[M+K]+ 475.427578 214.0
[M+H-H2O]+ 419.461680 210.2
[M+HCOO]- 481.462621 236.0
[M+CH3COO]- 495.478271 239.6
[M+Na-2H]- 457.439086 216.7
[M]+ 436.46387142 233.2
[M]- 436.46496858 233.2
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