CID 2764765

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

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
COC(=O)C1=C(C2=C(S1)C=NC=C2)N
InChI
InChI=1S/C9H8N2O2S/c1-13-9(12)8-7(10)5-2-3-11-4-6(5)14-8/h2-4H,10H2,1H3
InChIKey
VAAFWMASRDVMQF-UHFFFAOYSA-N
Compound name
methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

31
Patents

208.03065 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03793 140.8
[M+Na]+ 231.01987 151.9
[M-H]- 207.02337 145.0
[M+NH4]+ 226.06447 161.9
[M+K]+ 246.99381 148.8
[M+H-H2O]+ 191.02791 135.0
[M+HCOO]- 253.02885 161.1
[M+CH3COO]- 267.04450 184.7
[M+Na-2H]- 229.00532 144.6
[M]+ 208.03010 145.2
[M]- 208.03120 145.2
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