CID 91647485

Ethyl 2-nitro-2-(3-oxocyclohexyl)acetate

Structural Information

Molecular Formula
C10H15NO5
SMILES
CCOC(=O)C(C1CCCC(=O)C1)[N+](=O)[O-]
InChI
InChI=1S/C10H15NO5/c1-2-16-10(13)9(11(14)15)7-4-3-5-8(12)6-7/h7,9H,2-6H2,1H3
InChIKey
FCQZCZJUXQLWPL-UHFFFAOYSA-N
Compound name
ethyl 2-nitro-2-(3-oxocyclohexyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

229.09502 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10230 148.4
[M+Na]+ 252.08424 157.3
[M+NH4]+ 247.12884 154.5
[M+K]+ 268.05818 156.4
[M-H]- 228.08774 149.2
[M+Na-2H]- 250.06969 150.5
[M]+ 229.09447 149.3
[M]- 229.09557 149.3
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

patents stripe