CID 110008

Neodecaneperoxoic acid, 1,1-dimethylpropyl ester

Structural Information

Molecular Formula
C15H30O3
SMILES
CCC(C)(C)OOC(=O)CCCCCC(C)(C)C
InChI
InChI=1S/C15H30O3/c1-7-15(5,6)18-17-13(16)11-9-8-10-12-14(2,3)4/h7-12H2,1-6H3
InChIKey
ZIDNXYVJSYJXPE-UHFFFAOYSA-N
Compound name
2-methylbutan-2-yl 7,7-dimethyloctaneperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4168
Patents

258.21948 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.22676 167.0
[M+Na]+ 281.20870 171.7
[M-H]- 257.21220 166.5
[M+NH4]+ 276.25330 184.5
[M+K]+ 297.18264 171.3
[M+H-H2O]+ 241.21674 162.2
[M+HCOO]- 303.21768 184.8
[M+CH3COO]- 317.23333 199.6
[M+Na-2H]- 279.19415 170.0
[M]+ 258.21893 173.7
[M]- 258.22003 173.7
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