CID 14211433

117360-26-6

Structural Information

Molecular Formula

C₁₀H₁₁N₃S

SMILES

C1=CC(=CC=C1CN)C2=CSC(=N2)N

InChI

InChI=1S/C10H11N3S/c11-5-7-1-3-8(4-2-7)9-6-14-10(12)13-9/h1-4,6H,5,11H2,(H2,12,13)

InChIKey

YGXAFKJKGUIHMB-UHFFFAOYSA-N

Compound name

4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 205.06737 Da
Monoisotopic Mass: 1.1
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]+	206.07465	141.5
[M+Na]+	228.05659	150.7
[M-H]-	204.06009	146.9
[M+NH4]+	223.10119	160.8
[M+K]+	244.03053	145.9
[M+H-H2O]+	188.06463	134.4
[M+HCOO]-	250.06557	162.4
[M+CH3COO]-	264.08122	154.7
[M+Na-2H]-	226.04204	143.7
[M]+	205.06682	140.3
[M]-	205.06792	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe