CID 736535

89250-34-0

Structural Information

Molecular Formula

C₁₀H₁₀N₂S

SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)N

InChI

InChI=1S/C10H10N2S/c1-7-12-10(6-13-7)8-3-2-4-9(11)5-8/h2-6H,11H2,1H3

InChIKey

CPHZPWZSSBCSAH-UHFFFAOYSA-N

Compound name

3-(2-methyl-1,3-thiazol-4-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 206
Patents: 190.05647 Da
Monoisotopic Mass: 2.3
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	139.0
[M+Na]+	213.04569	152.2
[M+NH4]+	208.09029	148.9
[M+K]+	229.01963	144.9
[M-H]-	189.04919	143.9
[M+Na-2H]-	211.03114	147.4
[M]+	190.05592	142.8
[M]-	190.05702	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe