CID 103036

Peroxide, acetyl (octadecyloxy)carbonyl

Structural Information

Molecular Formula
C21H40O5
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)OOC(=O)C
InChI
InChI=1S/C21H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)26-25-20(2)22/h3-19H2,1-2H3
InChIKey
SPOYUJMXGZRQCI-UHFFFAOYSA-N
Compound name
octadecoxycarbonyl ethaneperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

372.28757 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.294846 200.2
[M+Na]+ 395.276788 201.4
[M-H]- 371.280294 197.9
[M+NH4]+ 390.321393 207.8
[M+K]+ 411.250728 199.6
[M+H-H2O]+ 355.284830 192.5
[M+HCOO]- 417.285771 216.6
[M+CH3COO]- 431.301421 218.9
[M+Na-2H]- 393.262236 197.0
[M]+ 372.28702142 211.5
[M]- 372.28811858 211.5
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