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

32611
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 173.2
[M+Na]+ 309.20364 180.2
[M-H]- 285.20714 173.0
[M+NH4]+ 304.24824 188.0
[M+K]+ 325.17758 181.0
[M+H-H2O]+ 269.21168 163.4
[M+HCOO]- 331.21262 184.0
[M+CH3COO]- 345.22827 208.8
[M+Na-2H]- 307.18909 178.1
[M]+ 286.21387 175.0
[M]- 286.21497 175.0
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