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

1519
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

literature stripe

Patent stripe

patents stripe