CID 2795949

Methyl 2-methyl-6-(thiophen-2-yl)nicotinate

Structural Information

Molecular Formula
C12H11NO2S
SMILES
CC1=C(C=CC(=N1)C2=CC=CS2)C(=O)OC
InChI
InChI=1S/C12H11NO2S/c1-8-9(12(14)15-2)5-6-10(13-8)11-4-3-7-16-11/h3-7H,1-2H3
InChIKey
PXOOFKKNKVAIPU-UHFFFAOYSA-N
Compound name
methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

233.05106 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.058336 150.0
[M+Na]+ 256.040278 159.9
[M-H]- 232.043784 156.6
[M+NH4]+ 251.084883 169.4
[M+K]+ 272.014218 156.8
[M+H-H2O]+ 216.048320 143.4
[M+HCOO]- 278.049261 169.3
[M+CH3COO]- 292.064911 187.9
[M+Na-2H]- 254.025726 150.9
[M]+ 233.05051142 154.5
[M]- 233.05160858 154.5
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

patents stripe