CID 393311

Nsc694976

Structural Information

Molecular Formula
C13H19NO4
SMILES
CCOC(=O)N1CC2(CC(C1C=C2)C(=O)OC)C
InChI
InChI=1S/C13H19NO4/c1-4-18-12(16)14-8-13(2)6-5-10(14)9(7-13)11(15)17-3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKey
IIEDUDGRNQRRBV-UHFFFAOYSA-N
Compound name
2-O-ethyl 6-O-methyl 4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 159.4
[M+Na]+ 276.12063 164.5
[M-H]- 252.12413 154.9
[M+NH4]+ 271.16523 181.7
[M+K]+ 292.09457 163.7
[M+H-H2O]+ 236.12867 154.3
[M+HCOO]- 298.12961 169.2
[M+CH3COO]- 312.14526 198.8
[M+Na-2H]- 274.10608 168.1
[M]+ 253.13086 165.5
[M]- 253.13196 165.5
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.