CID 28397220

Ethyl 4-(adamantan-1-yl)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C16H22O4
SMILES
CCOC(=O)C(=O)CC(=O)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C16H22O4/c1-2-20-15(19)13(17)6-14(18)16-7-10-3-11(8-16)5-12(4-10)9-16/h10-12H,2-9H2,1H3
InChIKey
MATMBKSYNFKHSK-UHFFFAOYSA-N
Compound name
ethyl 4-(1-adamantyl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

278.1518 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15908 164.4
[M+Na]+ 301.14102 171.0
[M+NH4]+ 296.18562 174.7
[M+K]+ 317.11496 163.7
[M-H]- 277.14452 160.1
[M+Na-2H]- 299.12647 159.2
[M]+ 278.15125 163.9
[M]- 278.15235 163.9
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