CID 53423043

94087-31-7

Structural Information

Molecular Formula

C₁₂H₁₆N₂OS

SMILES

CC(CN(C)C)OC1=NSC2=CC=CC=C21

InChI

InChI=1S/C12H16N2OS/c1-9(8-14(2)3)15-12-10-6-4-5-7-11(10)16-13-12/h4-7,9H,8H2,1-3H3

InChIKey

RPTSTYWJKBQOIF-UHFFFAOYSA-N

Compound name

2-(1,2-benzothiazol-3-yloxy)-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.09833 Da
Monoisotopic Mass: 3.1
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]+	237.105606	151.9
[M+Na]+	259.087548	160.8
[M-H]-	235.091054	157.2
[M+NH4]+	254.132153	172.6
[M+K]+	275.061488	158.8
[M+H-H2O]+	219.095590	145.1
[M+HCOO]-	281.096531	171.9
[M+CH3COO]-	295.112181	196.1
[M+Na-2H]-	257.072996	155.1
[M]+	236.09778142	158.6
[M]-	236.09887858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.