CID 55266573

Methyl 5-(2-hydroxyethyl)pyridine-2-carboxylate

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC(=O)C1=NC=C(C=C1)CCO
InChI
InChI=1S/C9H11NO3/c1-13-9(12)8-3-2-7(4-5-11)6-10-8/h2-3,6,11H,4-5H2,1H3
InChIKey
ALAGCKXRVMNAJE-UHFFFAOYSA-N
Compound name
methyl 5-(2-hydroxyethyl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

181.0739 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 137.1
[M+Na]+ 204.063118 145.0
[M-H]- 180.066624 138.2
[M+NH4]+ 199.107723 155.2
[M+K]+ 220.037058 143.5
[M+H-H2O]+ 164.071160 130.7
[M+HCOO]- 226.072101 158.8
[M+CH3COO]- 240.087751 177.8
[M+Na-2H]- 202.048566 142.9
[M]+ 181.07335142 138.9
[M]- 181.07444858 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

No literature data available for this compound.

Patent stripe

patents stripe