CID 73022

Methyl 6-methylpyridine-2-carboxylate

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=NC(=CC=C1)C(=O)OC
InChI
InChI=1S/C8H9NO2/c1-6-4-3-5-7(9-6)8(10)11-2/h3-5H,1-2H3
InChIKey
CYWIZMOZBTXFIL-UHFFFAOYSA-N
Compound name
methyl 6-methylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

524
Patents

151.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.6
[M+Na]+ 174.05254 142.8
[M+NH4]+ 169.09714 137.7
[M+K]+ 190.02648 137.1
[M-H]- 150.05604 130.9
[M+Na-2H]- 172.03799 136.7
[M]+ 151.06277 131.8
[M]- 151.06387 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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