CID 70447

Butyl 4,4-bis(tert-butyldioxy)valerate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13084
Patents

334.23553 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.24281 182.7
[M+Na]+ 357.22475 186.7
[M-H]- 333.22825 182.1
[M+NH4]+ 352.26935 189.0
[M+K]+ 373.19869 188.2
[M+H-H2O]+ 317.23279 177.7
[M+HCOO]- 379.23373 200.4
[M+CH3COO]- 393.24938 211.3
[M+Na-2H]- 355.21020 186.7
[M]+ 334.23498 194.0
[M]- 334.23608 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

literature stripe

Patent stripe

patents stripe