CID 54093533

Schembl1428381

Structural Information

Molecular Formula
C10H22O6
SMILES
CC(C)C(C)(OO)OOC(C)(C(C)C)OO
InChI
InChI=1S/C10H22O6/c1-7(2)9(5,13-11)15-16-10(6,14-12)8(3)4/h7-8,11-12H,1-6H3
InChIKey
MVNFSNOKNVAGBE-UHFFFAOYSA-N
Compound name
2-hydroperoxy-2-(2-hydroperoxy-3-methylbutan-2-yl)peroxy-3-methylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

238.14163 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.148906 153.6
[M+Na]+ 261.130848 158.3
[M-H]- 237.134354 150.9
[M+NH4]+ 256.175453 169.9
[M+K]+ 277.104788 160.3
[M+H-H2O]+ 221.138890 149.4
[M+HCOO]- 283.139831 169.4
[M+CH3COO]- 297.155481 188.7
[M+Na-2H]- 259.116296 157.4
[M]+ 238.14108142 159.1
[M]- 238.14217858 159.1
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