CID 82397385

Methyl 3-amino-2-chloro-6-methylpyridine-4-carboxylate

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
CC1=CC(=C(C(=N1)Cl)N)C(=O)OC
InChI
InChI=1S/C8H9ClN2O2/c1-4-3-5(8(12)13-2)6(10)7(9)11-4/h3H,10H2,1-2H3
InChIKey
AHEBSXQWKXZJER-UHFFFAOYSA-N
Compound name
methyl 3-amino-2-chloro-6-methylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.03525 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.042526 138.8
[M+Na]+ 223.024468 149.4
[M-H]- 199.027974 141.6
[M+NH4]+ 218.069073 157.8
[M+K]+ 238.998408 146.2
[M+H-H2O]+ 183.032510 133.5
[M+HCOO]- 245.033451 157.9
[M+CH3COO]- 259.049101 185.8
[M+Na-2H]- 221.009916 143.1
[M]+ 200.03470142 141.7
[M]- 200.03579858 141.7
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