CID 670446

3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
CC1=NC2=C(C=C1)C(=C(S2)C(=O)O)N
InChI
InChI=1S/C9H8N2O2S/c1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h2-3H,10H2,1H3,(H,12,13)
InChIKey
ZSZQAJUEIMYKCN-UHFFFAOYSA-N
Compound name
3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

47
Patents

208.03065 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03793 140.6
[M+Na]+ 231.01987 152.1
[M-H]- 207.02337 143.7
[M+NH4]+ 226.06447 161.2
[M+K]+ 246.99381 148.1
[M+H-H2O]+ 191.02791 135.4
[M+HCOO]- 253.02885 159.3
[M+CH3COO]- 267.04450 184.2
[M+Na-2H]- 229.00532 143.4
[M]+ 208.03010 143.7
[M]- 208.03120 143.7
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