CID 736526

165736-03-8

Structural Information

Molecular Formula

C₁₀H₁₀N₂S

SMILES

C1=CC=C(C=C1)C2=NC(=CS2)CN

InChI

InChI=1S/C10H10N2S/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6,11H2

InChIKey

PMFCMLGAPHZRTE-UHFFFAOYSA-N

Compound name

(2-phenyl-1,3-thiazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 96
Patents: 190.05647 Da
Monoisotopic Mass: 1.5
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]+	191.06375	138.8
[M+Na]+	213.04569	151.6
[M+NH4]+	208.09029	148.6
[M+K]+	229.01963	144.1
[M-H]-	189.04919	143.6
[M+Na-2H]-	211.03114	147.3
[M]+	190.05592	142.4
[M]-	190.05702	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe