CID 7619

102-77-2

Structural Information

Molecular Formula

C₁₁H₁₂N₂OS₂

SMILES

C1COCCN1SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2

InChIKey

MHKLKWCYGIBEQF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 24
References: 13134
Patents: 252.03911 Da
Monoisotopic Mass: 2.7
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]+	253.04639	148.1
[M+Na]+	275.02833	158.2
[M-H]-	251.03183	153.7
[M+NH4]+	270.07293	165.3
[M+K]+	291.00227	154.6
[M+H-H2O]+	235.03637	142.0
[M+HCOO]-	297.03731	158.6
[M+CH3COO]-	311.05296	160.5
[M+Na-2H]-	273.01378	151.0
[M]+	252.03856	150.0
[M]-	252.03966	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe