CID 580728

1,10-bis(2-oxocyclohexyl)-1,10-decanedione

Structural Information

Molecular Formula
C22H34O4
SMILES
C1CCC(=O)C(C1)C(=O)CCCCCCCCC(=O)C2CCCCC2=O
InChI
InChI=1S/C22H34O4/c23-19(17-11-7-9-15-21(17)25)13-5-3-1-2-4-6-14-20(24)18-12-8-10-16-22(18)26/h17-18H,1-16H2
InChIKey
RAOXNINWQAFWNG-UHFFFAOYSA-N
Compound name
1,10-bis(2-oxocyclohexyl)decane-1,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

362.2457 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.25298 191.3
[M+Na]+ 385.23492 190.4
[M-H]- 361.23842 194.5
[M+NH4]+ 380.27952 202.7
[M+K]+ 401.20886 186.8
[M+H-H2O]+ 345.24296 182.9
[M+HCOO]- 407.24390 203.7
[M+CH3COO]- 421.25955 217.3
[M+Na-2H]- 383.22037 185.6
[M]+ 362.24515 187.1
[M]- 362.24625 187.1
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