CID 42281672

150986-84-8

Structural Information

Molecular Formula

C₁₀H₁₁N₃OS

SMILES

CC(=O)N1CCC2=C(C1)SC(=C2C#N)N

InChI

InChI=1S/C10H11N3OS/c1-6(14)13-3-2-7-8(4-11)10(12)15-9(7)5-13/h2-3,5,12H2,1H3

InChIKey

ONWFDBVICXATKK-UHFFFAOYSA-N

Compound name

6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 17
Patents: 221.06229 Da
Monoisotopic Mass: 0.9
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]+	222.06957	146.0
[M+Na]+	244.05151	155.2
[M+NH4]+	239.09611	150.8
[M+K]+	260.02545	147.0
[M-H]-	220.05501	140.1
[M+Na-2H]-	242.03696	146.5
[M]+	221.06174	145.0
[M]-	221.06284	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe