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

1481
Patents

288.23007 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.23735 174.4
[M+Na]+ 311.21929 177.9
[M-H]- 287.22279 172.4
[M+NH4]+ 306.26389 189.9
[M+K]+ 327.19323 177.5
[M+H-H2O]+ 271.22733 169.6
[M+HCOO]- 333.22827 189.7
[M+CH3COO]- 347.24392 202.7
[M+Na-2H]- 309.20474 175.4
[M]+ 288.22952 180.4
[M]- 288.23062 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