CID 67305193

916201-65-5

Structural Information

Molecular Formula

C₉H₁₀N₂S

SMILES

CC(C1=CC2=C(C=C1)N=CS2)N

InChI

InChI=1S/C9H10N2S/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-6H,10H2,1H3

InChIKey

ZOWXJJFJILFTCE-UHFFFAOYSA-N

Compound name

1-(1,3-benzothiazol-6-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 178.05647 Da
Monoisotopic Mass: 1.3
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]+	179.06375	134.3
[M+Na]+	201.04569	144.7
[M-H]-	177.04919	138.2
[M+NH4]+	196.09029	156.6
[M+K]+	217.01963	141.1
[M+H-H2O]+	161.05373	128.6
[M+HCOO]-	223.05467	154.0
[M+CH3COO]-	237.07032	148.5
[M+Na-2H]-	199.03114	138.7
[M]+	178.05592	136.4
[M]-	178.05702	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe