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]+ 186.112476 140.1
[M+Na]+ 208.094418 146.9
[M-H]- 184.097924 140.9
[M+NH4]+ 203.139023 158.2
[M+K]+ 224.068358 145.9
[M+H-H2O]+ 168.102460 134.0
[M+HCOO]- 230.103401 158.8
[M+CH3COO]- 244.119051 179.8
[M+Na-2H]- 206.079866 143.3
[M]+ 185.10465142 139.5
[M]- 185.10574858 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.