CID 14083517

Methyl 4-chloro-6-(hydroxymethyl)picolinate

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
COC(=O)C1=CC(=CC(=N1)CO)Cl
InChI
InChI=1S/C8H8ClNO3/c1-13-8(12)7-3-5(9)2-6(4-11)10-7/h2-3,11H,4H2,1H3
InChIKey
VOHMXHMSILAEDI-UHFFFAOYSA-N
Compound name
methyl 4-chloro-6-(hydroxymethyl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

201.01927 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02655 137.8
[M+Na]+ 224.00849 151.1
[M+NH4]+ 219.05309 145.2
[M+K]+ 239.98243 145.7
[M-H]- 200.01199 138.0
[M+Na-2H]- 221.99394 143.7
[M]+ 201.01872 139.9
[M]- 201.01982 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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