CID 734891

101967-39-9

Structural Information

Molecular Formula

C₁₁H₁₂N₂S

SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=N2)N

InChI

InChI=1S/C11H12N2S/c1-7-3-4-8(2)9(5-7)10-6-14-11(12)13-10/h3-6H,1-2H3,(H2,12,13)

InChIKey

XMAIQILQRXZWMI-UHFFFAOYSA-N

Compound name

4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 204.07211 Da
Monoisotopic Mass: 3.0
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]+	205.07939	142.6
[M+Na]+	227.06133	153.2
[M-H]-	203.06483	149.0
[M+NH4]+	222.10593	163.1
[M+K]+	243.03527	148.7
[M+H-H2O]+	187.06937	136.2
[M+HCOO]-	249.07031	162.9
[M+CH3COO]-	263.08596	156.6
[M+Na-2H]-	225.04678	143.9
[M]+	204.07156	144.0
[M]-	204.07266	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe