CID 14937675

139927-19-8

Structural Information

Molecular Formula
C9H13NO2
SMILES
CCOC(=O)C1C2CC(N1)C=C2
InChI
InChI=1S/C9H13NO2/c1-2-12-9(11)8-6-3-4-7(5-6)10-8/h3-4,6-8,10H,2,5H2,1H3
InChIKey
PPUKEAWMRSOSSL-UHFFFAOYSA-N
Compound name
ethyl 2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

167.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 138.1
[M+Na]+ 190.083858 145.5
[M-H]- 166.087364 138.4
[M+NH4]+ 185.128463 161.8
[M+K]+ 206.057798 143.6
[M+H-H2O]+ 150.091900 133.2
[M+HCOO]- 212.092841 157.7
[M+CH3COO]- 226.108491 175.6
[M+Na-2H]- 188.069306 141.0
[M]+ 167.09409142 137.8
[M]- 167.09518858 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe