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

15
Patents

212.06195 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 144.2
[M+Na]+ 235.05117 151.7
[M-H]- 211.05467 145.6
[M+NH4]+ 230.09577 164.0
[M+K]+ 251.02511 148.4
[M+H-H2O]+ 195.05921 138.8
[M+HCOO]- 257.06015 158.6
[M+CH3COO]- 271.07580 183.3
[M+Na-2H]- 233.03662 144.9
[M]+ 212.06140 142.6
[M]- 212.06250 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