CID 8934593

Methyl 2-amino-4h,5h,6h,7h-thieno[2,3-c]pyridine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
COC(=O)C1=C(SC2=C1CCNC2)N
InChI
InChI=1S/C9H12N2O2S/c1-13-9(12)7-5-2-3-11-4-6(5)14-8(7)10/h11H,2-4,10H2,1H3
InChIKey
LQZANZIKFLNHAS-UHFFFAOYSA-N
Compound name
methyl 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

212.06195 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.069226 144.2
[M+Na]+ 235.051168 151.7
[M-H]- 211.054674 145.6
[M+NH4]+ 230.095773 164.0
[M+K]+ 251.025108 148.4
[M+H-H2O]+ 195.059210 138.8
[M+HCOO]- 257.060151 158.6
[M+CH3COO]- 271.075801 183.3
[M+Na-2H]- 233.036616 144.9
[M]+ 212.06140142 142.6
[M]- 212.06249858 142.6
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