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]+ 298.128526 167.0
[M+Na]+ 320.110468 171.3
[M-H]- 296.113974 162.1
[M+NH4]+ 315.155073 187.2
[M+K]+ 336.084408 171.7
[M+H-H2O]+ 280.118510 162.0
[M+HCOO]- 342.119451 175.9
[M+CH3COO]- 356.135101 205.5
[M+Na-2H]- 318.095916 174.8
[M]+ 297.12070142 175.1
[M]- 297.12179858 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.