CID 66973394

2305251-55-0

Structural Information

Molecular Formula
C8H13NO2
SMILES
CCOC(=O)C1CNCC=C1
InChI
InChI=1S/C8H13NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-4,7,9H,2,5-6H2,1H3
InChIKey
VXSLGLOXYJJLLO-UHFFFAOYSA-N
Compound name
ethyl 1,2,3,6-tetrahydropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

155.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 133.8
[M+Na]+ 178.083858 139.2
[M-H]- 154.087364 133.9
[M+NH4]+ 173.128463 152.5
[M+K]+ 194.057798 137.9
[M+H-H2O]+ 138.091900 127.5
[M+HCOO]- 200.092841 152.6
[M+CH3COO]- 214.108491 172.3
[M+Na-2H]- 176.069306 138.8
[M]+ 155.09409142 130.5
[M]- 155.09518858 130.5
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

patents stripe