CID 207319

24237-39-6

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂S

SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C)N

InChI

InChI=1S/C11H16N2O2S/c1-3-15-11(14)9-7-4-5-13(2)6-8(7)16-10(9)12/h3-6,12H2,1-2H3

InChIKey

BLLSMPCWRPCBDL-UHFFFAOYSA-N

Compound name

ethyl 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 74
Patents: 240.09325 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.10053	153.1
[M+Na]+	263.08247	161.0
[M-H]-	239.08597	155.9
[M+NH4]+	258.12707	172.8
[M+K]+	279.05641	158.1
[M+H-H2O]+	223.09051	147.3
[M+HCOO]-	285.09145	168.2
[M+CH3COO]-	299.10710	192.9
[M+Na-2H]-	261.06792	152.5
[M]+	240.09270	154.4
[M]-	240.09380	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe