CID 731878

104296-00-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂S

SMILES

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

InChI

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

InChIKey

YAHPYUWCTUAXGT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 18
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	143.8
[M+Na]+	227.06133	157.2
[M+NH4]+	222.10593	153.5
[M+K]+	243.03527	149.8
[M-H]-	203.06483	148.7
[M+Na-2H]-	225.04678	151.6
[M]+	204.07156	147.6
[M]-	204.07266	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe