CID 44146930

3-hydroxy-1,1-dimethylbutyl 2-ethyl-2-methylheptaneperoxoate

Structural Information

Molecular Formula
C16H32O4
SMILES
CC(CC(C)(C)OOC(=O)CCCCCC(C)(C)C)O
InChI
InChI=1S/C16H32O4/c1-13(17)12-16(5,6)20-19-14(18)10-8-7-9-11-15(2,3)4/h13,17H,7-12H2,1-6H3
InChIKey
MVELOSYXCOVILT-UHFFFAOYSA-N
Compound name
(4-hydroxy-2-methylpentan-2-yl) 7,7-dimethyloctaneperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1430
Patents

288.23007 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.237346 174.4
[M+Na]+ 311.219288 177.9
[M-H]- 287.222794 172.4
[M+NH4]+ 306.263893 189.9
[M+K]+ 327.193228 177.5
[M+H-H2O]+ 271.227330 169.6
[M+HCOO]- 333.228271 189.7
[M+CH3COO]- 347.243921 202.7
[M+Na-2H]- 309.204736 175.4
[M]+ 288.22952142 180.4
[M]- 288.23061858 180.4
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