CID 14037

1068-27-5

Structural Information

Molecular Formula
C16H30O4
SMILES
CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C
InChI
InChI=1S/C16H30O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h1-10H3
InChIKey
ODBCKCWTWALFKM-UHFFFAOYSA-N
Compound name
2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-yne
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

31541
Patents

286.21442 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.22170 164.7
[M+Na]+ 309.20364 171.5
[M+NH4]+ 304.24824 166.1
[M+K]+ 325.17758 166.6
[M-H]- 285.20714 153.3
[M+Na-2H]- 307.18909 163.4
[M]+ 286.21387 161.7
[M]- 286.21497 161.7
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