CID 10560015

Methyl 6-chloro-2-methoxynicotinate

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
COC1=C(C=CC(=N1)Cl)C(=O)OC
InChI
InChI=1S/C8H8ClNO3/c1-12-7-5(8(11)13-2)3-4-6(9)10-7/h3-4H,1-2H3
InChIKey
KUJLWEWWBOZDRR-UHFFFAOYSA-N
Compound name
methyl 6-chloro-2-methoxypyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

201.01927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.026546 135.8
[M+Na]+ 224.008488 146.3
[M-H]- 200.011994 138.8
[M+NH4]+ 219.053093 155.0
[M+K]+ 239.982428 144.1
[M+H-H2O]+ 184.016530 130.4
[M+HCOO]- 246.017471 154.8
[M+CH3COO]- 260.033121 182.4
[M+Na-2H]- 221.993936 141.8
[M]+ 201.01872142 141.6
[M]- 201.01981858 141.6
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