CID 75694

Tert-butyl 2-ethylperoxybutyrate

Structural Information

Molecular Formula
C10H20O3
SMILES
CCC(CC)C(=O)OOC(C)(C)C
InChI
InChI=1S/C10H20O3/c1-6-8(7-2)9(11)12-13-10(3,4)5/h8H,6-7H2,1-5H3
InChIKey
KXYJPVZMZBJJBZ-UHFFFAOYSA-N
Compound name
tert-butyl 2-ethylbutaneperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1582
Patents

188.14125 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.14853 144.6
[M+Na]+ 211.13047 150.7
[M-H]- 187.13397 144.8
[M+NH4]+ 206.17507 164.7
[M+K]+ 227.10441 151.6
[M+H-H2O]+ 171.13851 140.2
[M+HCOO]- 233.13945 164.6
[M+CH3COO]- 247.15510 184.9
[M+Na-2H]- 209.11592 148.0
[M]+ 188.14070 149.2
[M]- 188.14180 149.2
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