CID 264296

37578-06-6

Structural Information

Molecular Formula

C₉H₁₁N₃S

SMILES

CN1CCC2=C(C1)SC(=C2C#N)N

InChI

InChI=1S/C9H11N3S/c1-12-3-2-6-7(4-10)9(11)13-8(6)5-12/h2-3,5,11H2,1H3

InChIKey

WVPOJZUKIIRHOQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 33
Patents: 193.06737 Da
Monoisotopic Mass: 1.4
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]+	194.07465	138.8
[M+Na]+	216.05659	149.0
[M+NH4]+	211.10119	144.7
[M+K]+	232.03053	140.0
[M-H]-	192.06009	133.9
[M+Na-2H]-	214.04204	140.4
[M]+	193.06682	138.3
[M]-	193.06792	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe