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

4
Patents

187.00362 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01090 131.9
[M+Na]+ 209.99284 142.3
[M-H]- 185.99634 133.6
[M+NH4]+ 205.03744 150.9
[M+K]+ 225.96678 139.5
[M+H-H2O]+ 170.00088 127.0
[M+HCOO]- 232.00182 149.7
[M+CH3COO]- 246.01747 176.8
[M+Na-2H]- 207.97829 137.8
[M]+ 187.00307 135.3
[M]- 187.00417 135.3
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