CID 369619

Nsc641531

Structural Information

Molecular Formula

C₁₁H₁₂N₂S

SMILES

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

InChI

InChI=1S/C11H12N2S/c12-10(11-13-6-7-14-11)8-9-4-2-1-3-5-9/h1-7,10H,8,12H2

InChIKey

ADXGZQRJIYRSGK-UHFFFAOYSA-N

Compound name

2-phenyl-1-(1,3-thiazol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 204.07211 Da
Monoisotopic Mass: 1.8
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	143.1
[M+Na]+	227.06133	155.0
[M+NH4]+	222.10593	152.7
[M+K]+	243.03527	147.9
[M-H]-	203.06483	147.6
[M+Na-2H]-	225.04678	151.4
[M]+	204.07156	146.5
[M]-	204.07266	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe