CID 10921141

Ethyl 6-(hydroxymethyl)picolinate

Structural Information

Molecular Formula
C9H11NO3
SMILES
CCOC(=O)C1=CC=CC(=N1)CO
InChI
InChI=1S/C9H11NO3/c1-2-13-9(12)8-5-3-4-7(6-11)10-8/h3-5,11H,2,6H2,1H3
InChIKey
CDFOARSBQKJGNL-UHFFFAOYSA-N
Compound name
ethyl 6-(hydroxymethyl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

181.0739 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.1
[M+Na]+ 204.06312 145.0
[M-H]- 180.06662 138.2
[M+NH4]+ 199.10772 155.2
[M+K]+ 220.03706 143.5
[M+H-H2O]+ 164.07116 130.7
[M+HCOO]- 226.07210 158.8
[M+CH3COO]- 240.08775 177.8
[M+Na-2H]- 202.04857 142.9
[M]+ 181.07335 138.9
[M]- 181.07445 138.9
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