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]+ 208.04268 141.2
[M+Na]+ 230.02462 153.0
[M-H]- 206.02812 146.0
[M+NH4]+ 225.06922 163.1
[M+K]+ 245.99856 150.1
[M+H-H2O]+ 190.03266 135.8
[M+HCOO]- 252.03360 160.9
[M+CH3COO]- 266.04925 183.5
[M+Na-2H]- 228.01007 144.9
[M]+ 207.03485 147.8
[M]- 207.03595 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