CID 89694

3,3,6,6,9,9-hexamethyl-1,2,4,5-tetroxonane

Structural Information

Molecular Formula
C11H22O4
SMILES
CC1(CCC(OOC(OO1)(C)C)(C)C)C
InChI
InChI=1S/C11H22O4/c1-9(2)7-8-10(3,4)13-15-11(5,6)14-12-9/h7-8H2,1-6H3
InChIKey
QRIQYQXNFSXNGR-UHFFFAOYSA-N
Compound name
3,3,6,6,9,9-hexamethyl-1,2,4,5-tetraoxonane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1463
Patents

218.15181 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15909 201.4
[M+Na]+ 241.14103 204.9
[M-H]- 217.14453 202.1
[M+NH4]+ 236.18563 202.2
[M+K]+ 257.11497 202.2
[M+H-H2O]+ 201.14907 194.2
[M+HCOO]- 263.15001 202.7
[M+CH3COO]- 277.16566 203.2
[M+Na-2H]- 239.12648 203.7
[M]+ 218.15126 202.3
[M]- 218.15236 202.3
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.