CID 4311279

1269152-37-5

Structural Information

Molecular Formula

C₉H₁₄N₂S

SMILES

CC(C1=NC2=C(S1)CCCC2)N

InChI

InChI=1S/C9H14N2S/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h6H,2-5,10H2,1H3

InChIKey

XTHNIXNHWPALKL-UHFFFAOYSA-N

Compound name

1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.08777 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]+	183.09505	138.2
[M+Na]+	205.07699	145.3
[M-H]-	181.08049	140.7
[M+NH4]+	200.12159	159.9
[M+K]+	221.05093	142.5
[M+H-H2O]+	165.08503	132.3
[M+HCOO]-	227.08597	153.5
[M+CH3COO]-	241.10162	150.6
[M+Na-2H]-	203.06244	139.6
[M]+	182.08722	135.9
[M]-	182.08832	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe