CID 393314

Nsc694979

Structural Information

Molecular Formula
C14H19NO6
SMILES
CCOC(=O)N1CC2(CC(C1C=C2)C(=O)OC)C(=O)OC
InChI
InChI=1S/C14H19NO6/c1-4-21-13(18)15-8-14(12(17)20-3)6-5-10(15)9(7-14)11(16)19-2/h5-6,9-10H,4,7-8H2,1-3H3
InChIKey
HFNDOFREJAHKCB-UHFFFAOYSA-N
Compound name
2-O-ethyl 4-O,6-O-dimethyl 2-azabicyclo[2.2.2]oct-7-ene-2,4,6-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.12125 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12853 167.0
[M+Na]+ 320.11047 171.3
[M-H]- 296.11397 162.1
[M+NH4]+ 315.15507 187.2
[M+K]+ 336.08441 171.7
[M+H-H2O]+ 280.11851 162.0
[M+HCOO]- 342.11945 175.9
[M+CH3COO]- 356.13510 205.5
[M+Na-2H]- 318.09592 174.8
[M]+ 297.12070 175.1
[M]- 297.12180 175.1
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

No patent data available for this compound.