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]+ 200.047286 137.0
[M+Na]+ 222.029228 148.1
[M-H]- 198.032734 140.2
[M+NH4]+ 217.073833 156.7
[M+K]+ 238.003168 145.2
[M+H-H2O]+ 182.037270 131.9
[M+HCOO]- 244.038211 155.4
[M+CH3COO]- 258.053861 184.6
[M+Na-2H]- 220.014676 141.7
[M]+ 199.03946142 142.1
[M]- 199.04055858 142.1
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.