CID 54684010

37673-68-0

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCOC(=O)C1=C(CCN(C1)C)O
InChI
InChI=1S/C9H15NO3/c1-3-13-9(12)7-6-10(2)5-4-8(7)11/h11H,3-6H2,1-2H3
InChIKey
XGCYCBYLTOCAQB-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

185.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 140.1
[M+Na]+ 208.09442 146.9
[M-H]- 184.09792 140.9
[M+NH4]+ 203.13902 158.2
[M+K]+ 224.06836 145.9
[M+H-H2O]+ 168.10246 134.0
[M+HCOO]- 230.10340 158.8
[M+CH3COO]- 244.11905 179.8
[M+Na-2H]- 206.07987 143.3
[M]+ 185.10465 139.5
[M]- 185.10575 139.5
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

No patent data available for this compound.