CID 2064062

35160-10-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂S

SMILES

CC1=CC=CC=C1NC2=NCCS2

InChI

InChI=1S/C10H12N2S/c1-8-4-2-3-5-9(8)12-10-11-6-7-13-10/h2-5H,6-7H2,1H3,(H,11,12)

InChIKey

KRKBAXHCIRTHOA-UHFFFAOYSA-N

Compound name

N-(2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 192.07211 Da
Monoisotopic Mass: 2.1
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]+	193.07939	139.4
[M+Na]+	215.06133	147.7
[M-H]-	191.06483	145.3
[M+NH4]+	210.10593	160.0
[M+K]+	231.03527	144.2
[M+H-H2O]+	175.06937	132.6
[M+HCOO]-	237.07031	159.3
[M+CH3COO]-	251.08596	152.9
[M+Na-2H]-	213.04678	142.6
[M]+	192.07156	139.1
[M]-	192.07266	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe