CID 56956218

1256807-90-5

Structural Information

Molecular Formula

C₇H₆ClNO₃

SMILES

COC(=O)C1=CC(=NC=C1O)Cl

InChI

InChI=1S/C7H6ClNO3/c1-12-7(11)4-2-6(8)9-3-5(4)10/h2-3,10H,1H3

InChIKey

BLIUGSMJOAUWSV-UHFFFAOYSA-N

Compound name

methyl 2-chloro-5-hydroxypyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 187.00362 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.010896	131.9
[M+Na]+	209.992838	142.3
[M-H]-	185.996344	133.6
[M+NH4]+	205.037443	150.9
[M+K]+	225.966778	139.5
[M+H-H2O]+	170.000880	127.0
[M+HCOO]-	232.001821	149.7
[M+CH3COO]-	246.017471	176.8
[M+Na-2H]-	207.978286	137.8
[M]+	187.00307142	135.3
[M]-	187.00416858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe