CID 21093462

612504-42-4

Structural Information

Molecular Formula

C₁₀H₁₂N₂S

SMILES

C1CCC(C1)C2=CC(=C(S2)N)C#N

InChI

InChI=1S/C10H12N2S/c11-6-8-5-9(13-10(8)12)7-3-1-2-4-7/h5,7H,1-4,12H2

InChIKey

WZPDALKEHHNBPR-UHFFFAOYSA-N

Compound name

2-amino-5-cyclopentylthiophene-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 192.07211 Da
Monoisotopic Mass: 3.2
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]+	193.07939	149.3
[M+Na]+	215.06133	160.1
[M-H]-	191.06483	155.6
[M+NH4]+	210.10593	170.5
[M+K]+	231.03527	155.4
[M+H-H2O]+	175.06937	137.2
[M+HCOO]-	237.07031	165.5
[M+CH3COO]-	251.08596	161.3
[M+Na-2H]-	213.04678	147.8
[M]+	192.07156	142.8
[M]-	192.07266	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe