CID 47002442

Ethyl 5-acetyl-1,2,3,4-tetrahydropyridine-1-carboxylate

Structural Information

Molecular Formula
C10H15NO3
SMILES
CCOC(=O)N1CCCC(=C1)C(=O)C
InChI
InChI=1S/C10H15NO3/c1-3-14-10(13)11-6-4-5-9(7-11)8(2)12/h7H,3-6H2,1-2H3
InChIKey
WOFYHISLXQXNEX-UHFFFAOYSA-N
Compound name
ethyl 5-acetyl-3,4-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

197.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 143.1
[M+Na]+ 220.09442 149.1
[M-H]- 196.09792 144.9
[M+NH4]+ 215.13902 161.1
[M+K]+ 236.06836 148.7
[M+H-H2O]+ 180.10246 136.6
[M+HCOO]- 242.10340 162.3
[M+CH3COO]- 256.11905 183.5
[M+Na-2H]- 218.07987 145.8
[M]+ 197.10465 143.0
[M]- 197.10575 143.0
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