CID 212359

24237-44-3

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

CCOC(=O)C1=C(SC2=C1CCNC2)N

InChI

InChI=1S/C10H14N2O2S/c1-2-14-10(13)8-6-3-4-12-5-7(6)15-9(8)11/h12H,2-5,11H2,1H3

InChIKey

PVISNLMZGPDDEI-UHFFFAOYSA-N

Compound name

ethyl 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: 23
Patents: 226.0776 Da
Monoisotopic Mass: 1.5
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]+	227.08488	148.6
[M+Na]+	249.06682	155.7
[M-H]-	225.07032	149.8
[M+NH4]+	244.11142	167.8
[M+K]+	265.04076	152.2
[M+H-H2O]+	209.07486	143.0
[M+HCOO]-	271.07580	162.6
[M+CH3COO]-	285.09145	186.3
[M+Na-2H]-	247.05227	148.8
[M]+	226.07705	147.3
[M]-	226.07815	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe