CID 154578056

1989675-62-8

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CC1=C(C(=CN=C1C)C(=O)OC)Cl
InChI
InChI=1S/C9H10ClNO2/c1-5-6(2)11-4-7(8(5)10)9(12)13-3/h4H,1-3H3
InChIKey
BMRFFRHYNVAOAB-UHFFFAOYSA-N
Compound name
methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.04001 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 138.6
[M+Na]+ 222.02923 153.1
[M+NH4]+ 217.07383 146.8
[M+K]+ 238.00317 146.8
[M-H]- 198.03273 139.9
[M+Na-2H]- 220.01468 145.1
[M]+ 199.03946 141.4
[M]- 199.04056 141.4
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

No patent data available for this compound.