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

9
Patents

362.2457 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.252976 191.3
[M+Na]+ 385.234918 190.4
[M-H]- 361.238424 194.5
[M+NH4]+ 380.279523 202.7
[M+K]+ 401.208858 186.8
[M+H-H2O]+ 345.242960 182.9
[M+HCOO]- 407.243901 203.7
[M+CH3COO]- 421.259551 217.3
[M+Na-2H]- 383.220366 185.6
[M]+ 362.24515142 187.1
[M]- 362.24624858 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