CID 21115390

Ns00082050

Structural Information

Molecular Formula
C10H20O4
SMILES
CCC(C(=O)OC(C)(C)C)OOCC
InChI
InChI=1S/C10H20O4/c1-6-8(14-12-7-2)9(11)13-10(3,4)5/h8H,6-7H2,1-5H3
InChIKey
UZBQXCLZZCMYAP-UHFFFAOYSA-N
Compound name
tert-butyl 2-ethylperoxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.13615 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.143426 147.4
[M+Na]+ 227.125368 153.5
[M-H]- 203.128874 147.6
[M+NH4]+ 222.169973 166.9
[M+K]+ 243.099308 154.9
[M+H-H2O]+ 187.133410 142.8
[M+HCOO]- 249.134351 167.7
[M+CH3COO]- 263.150001 186.9
[M+Na-2H]- 225.110816 150.9
[M]+ 204.13560142 153.6
[M]- 204.13669858 153.6
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

No patent data available for this compound.