CID 53691024

2-(morpholin-3-yl)-1,3-benzothiazole hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂N₂OS

SMILES

C1COCC(N1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C11H12N2OS/c1-2-4-10-8(3-1)13-11(15-10)9-7-14-6-5-12-9/h1-4,9,12H,5-7H2

InChIKey

HTRYLKRMWMMOGW-UHFFFAOYSA-N

Compound name

3-(1,3-benzothiazol-2-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 220.06703 Da
Monoisotopic Mass: 1.4
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]+	221.074306	143.4
[M+Na]+	243.056248	152.3
[M-H]-	219.059754	147.8
[M+NH4]+	238.100853	160.6
[M+K]+	259.030188	148.8
[M+H-H2O]+	203.064290	136.6
[M+HCOO]-	265.065231	157.3
[M+CH3COO]-	279.080881	155.7
[M+Na-2H]-	241.041696	147.9
[M]+	220.06648142	142.4
[M]-	220.06757858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe