CID 205701

Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
CCOC(=O)C1=CCCNC1
InChI
InChI=1S/C8H13NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h4,9H,2-3,5-6H2,1H3
InChIKey
DBJSKLKTQJMDTJ-UHFFFAOYSA-N
Compound name
ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

57
Patents

155.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.8
[M+Na]+ 178.08386 139.2
[M-H]- 154.08736 133.9
[M+NH4]+ 173.12846 152.5
[M+K]+ 194.05780 137.9
[M+H-H2O]+ 138.09190 127.5
[M+HCOO]- 200.09284 152.6
[M+CH3COO]- 214.10849 172.3
[M+Na-2H]- 176.06931 138.8
[M]+ 155.09409 130.5
[M]- 155.09519 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

literature stripe

Patent stripe

patents stripe