CID 4962626

(1,3-benzothiazol-2-ylmethyl)(methyl)amine

Structural Information

Molecular Formula

C₉H₁₀N₂S

SMILES

CNCC1=NC2=CC=CC=C2S1

InChI

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

InChIKey

XRUPROQYVHMNDL-UHFFFAOYSA-N

Compound name

1-(1,3-benzothiazol-2-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 178.05647 Da
Monoisotopic Mass: 2.0
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]+	179.063746	133.1
[M+Na]+	201.045688	143.8
[M-H]-	177.049194	137.3
[M+NH4]+	196.090293	155.7
[M+K]+	217.019628	140.1
[M+H-H2O]+	161.053730	127.2
[M+HCOO]-	223.054671	154.5
[M+CH3COO]-	237.070321	147.7
[M+Na-2H]-	199.031136	139.6
[M]+	178.05592142	136.7
[M]-	178.05701858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe