CID 54707715

37673-69-1

Structural Information

Molecular Formula
C10H17NO3
SMILES
CCN1CCC(=C(C1)C(=O)OCC)O
InChI
InChI=1S/C10H17NO3/c1-3-11-6-5-9(12)8(7-11)10(13)14-4-2/h12H,3-7H2,1-2H3
InChIKey
FAYJBNOUDWBYQW-UHFFFAOYSA-N
Compound name
ethyl 1-ethyl-4-hydroxy-3,6-dihydro-2H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 144.7
[M+Na]+ 222.11007 151.1
[M-H]- 198.11357 145.3
[M+NH4]+ 217.15467 162.2
[M+K]+ 238.08401 149.9
[M+H-H2O]+ 182.11811 138.4
[M+HCOO]- 244.11905 163.1
[M+CH3COO]- 258.13470 182.8
[M+Na-2H]- 220.09552 147.3
[M]+ 199.12030 144.5
[M]- 199.12140 144.5
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

No patent data available for this compound.