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
1
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]+ 373.29485 200.2
[M+Na]+ 395.27679 201.4
[M-H]- 371.28029 197.9
[M+NH4]+ 390.32139 207.8
[M+K]+ 411.25073 199.6
[M+H-H2O]+ 355.28483 192.5
[M+HCOO]- 417.28577 216.6
[M+CH3COO]- 431.30142 218.9
[M+Na-2H]- 393.26224 197.0
[M]+ 372.28702 211.5
[M]- 372.28812 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