CID 13793457

Methyl 3-methylthieno[2,3-c]pyridine-2-carboxylate

Structural Information

Molecular Formula
C10H9NO2S
SMILES
CC1=C(SC2=C1C=CN=C2)C(=O)OC
InChI
InChI=1S/C10H9NO2S/c1-6-7-3-4-11-5-8(7)14-9(6)10(12)13-2/h3-5H,1-2H3
InChIKey
KFXGWCKBBSUSCY-UHFFFAOYSA-N
Compound name
methyl 3-methylthieno[2,3-c]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.0354 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.042676 141.2
[M+Na]+ 230.024618 153.0
[M-H]- 206.028124 146.0
[M+NH4]+ 225.069223 163.1
[M+K]+ 245.998558 150.1
[M+H-H2O]+ 190.032660 135.8
[M+HCOO]- 252.033601 160.9
[M+CH3COO]- 266.049251 183.5
[M+Na-2H]- 228.010066 144.9
[M]+ 207.03485142 147.8
[M]- 207.03594858 147.8
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