CID 495251

Nsc646932

Structural Information

Molecular Formula
C14H15NO6
SMILES
CCOC(=O)C12C3C(C1(OC(=O)C=C2C)C)C(=O)NC3=O
InChI
InChI=1S/C14H15NO6/c1-4-20-12(19)14-6(2)5-7(16)21-13(14,3)8-9(14)11(18)15-10(8)17/h5,8-9H,4H2,1-3H3,(H,15,17,18)
InChIKey
HJIXHSQKUYZNRT-UHFFFAOYSA-N
Compound name
ethyl 7,11-dimethyl-3,5,9-trioxo-8-oxa-4-azatricyclo[5.4.0.02,6]undec-10-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.08994 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09722 159.3
[M+Na]+ 316.07916 167.5
[M-H]- 292.08266 163.1
[M+NH4]+ 311.12376 173.0
[M+K]+ 332.05310 169.0
[M+H-H2O]+ 276.08720 151.6
[M+HCOO]- 338.08814 173.2
[M+CH3COO]- 352.10379 203.0
[M+Na-2H]- 314.06461 162.9
[M]+ 293.08939 171.7
[M]- 293.09049 171.7
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

No patent data available for this compound.