CID 21487656

71436-84-5

Structural Information

Molecular Formula
C17H34O6
SMILES
CCCCOC(=O)CC(CC)(OOC(C)(C)C)OOC(C)(C)C
InChI
InChI=1S/C17H34O6/c1-9-11-12-19-14(18)13-17(10-2,22-20-15(3,4)5)23-21-16(6,7)8/h9-13H2,1-8H3
InChIKey
XNRJBTFAPRFYIA-UHFFFAOYSA-N
Compound name
butyl 3,3-bis(tert-butylperoxy)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

334.23553 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.242806 182.7
[M+Na]+ 357.224748 186.7
[M-H]- 333.228254 182.1
[M+NH4]+ 352.269353 189.0
[M+K]+ 373.198688 188.2
[M+H-H2O]+ 317.232790 177.7
[M+HCOO]- 379.233731 200.4
[M+CH3COO]- 393.249381 211.3
[M+Na-2H]- 355.210196 186.7
[M]+ 334.23498142 194.0
[M]- 334.23607858 194.0
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