CID 2756558

202664-32-2

Structural Information

Molecular Formula

C₁₀H₇N₃S

SMILES

C1=CC(=CC(=C1)C2=CSC(=N2)N)C#N

InChI

InChI=1S/C10H7N3S/c11-5-7-2-1-3-8(4-7)9-6-14-10(12)13-9/h1-4,6H,(H2,12,13)

InChIKey

YRRQAALAOMOXJW-UHFFFAOYSA-N

Compound name

3-(2-amino-1,3-thiazol-4-yl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 201.03607 Da
Monoisotopic Mass: 2.0
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]+	202.04335	140.2
[M+Na]+	224.02529	152.4
[M+NH4]+	219.06989	146.0
[M+K]+	239.99923	142.7
[M-H]-	200.02879	137.1
[M+Na-2H]-	222.01074	145.6
[M]+	201.03552	140.6
[M]-	201.03662	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe