CID 566021

Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate

Structural Information

Molecular Formula
C9H15NO2
SMILES
CCOC(=O)C1=CCN(CC1)C
InChI
InChI=1S/C9H15NO2/c1-3-12-9(11)8-4-6-10(2)7-5-8/h4H,3,5-7H2,1-2H3
InChIKey
GKMQAGZRPQBLHG-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

95
Patents

169.11028 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.117556 136.9
[M+Na]+ 192.099498 143.3
[M-H]- 168.103004 138.8
[M+NH4]+ 187.144103 156.2
[M+K]+ 208.073438 142.7
[M+H-H2O]+ 152.107540 130.5
[M+HCOO]- 214.108481 157.0
[M+CH3COO]- 228.124131 179.1
[M+Na-2H]- 190.084946 141.3
[M]+ 169.10973142 136.4
[M]- 169.11082858 136.4
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