CID 77901

4225-26-7

Structural Information

Molecular Formula

C₁₁H₁₂N₂OS

SMILES

C1COCCN1C2=NC3=CC=CC=C3S2

InChI

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

InChIKey

VVUVJGRVEYHIHC-UHFFFAOYSA-N

Compound name

4-(1,3-benzothiazol-2-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 130
Patents: 220.06703 Da
Monoisotopic Mass: 2.3
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]+	221.07431	143.5
[M+Na]+	243.05625	152.8
[M-H]-	219.05975	149.3
[M+NH4]+	238.10085	161.4
[M+K]+	259.03019	150.2
[M+H-H2O]+	203.06429	136.4
[M+HCOO]-	265.06523	158.9
[M+CH3COO]-	279.08088	156.5
[M+Na-2H]-	241.04170	148.3
[M]+	220.06648	144.3
[M]-	220.06758	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe