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]+ 200.128126 144.7
[M+Na]+ 222.110068 151.1
[M-H]- 198.113574 145.3
[M+NH4]+ 217.154673 162.2
[M+K]+ 238.084008 149.9
[M+H-H2O]+ 182.118110 138.4
[M+HCOO]- 244.119051 163.1
[M+CH3COO]- 258.134701 182.8
[M+Na-2H]- 220.095516 147.3
[M]+ 199.12030142 144.5
[M]- 199.12139858 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.