CID 536100

Dtxsid801025003

Structural Information

Molecular Formula
C6H12O4
SMILES
CC1(OOC(OO1)(C)C)C
InChI
InChI=1S/C6H12O4/c1-5(2)7-9-6(3,4)10-8-5/h1-4H3
InChIKey
SJQITXILEOCXGI-UHFFFAOYSA-N
Compound name
3,3,6,6-tetramethyl-1,2,4,5-tetraoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

458
Patents

148.07356 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.080836 125.2
[M+Na]+ 171.062778 133.6
[M-H]- 147.066284 132.0
[M+NH4]+ 166.107383 145.3
[M+K]+ 187.036718 139.6
[M+H-H2O]+ 131.070820 122.1
[M+HCOO]- 193.071761 143.4
[M+CH3COO]- 207.087411 173.2
[M+Na-2H]- 169.048226 138.0
[M]+ 148.07301142 129.3
[M]- 148.07410858 129.3
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.