CID 82461

10220-34-5

Structural Information

Molecular Formula

C₁₀H₁₂N₂S₂

SMILES

CC(C)NSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C10H12N2S2/c1-7(2)12-14-10-11-8-5-3-4-6-9(8)13-10/h3-7,12H,1-2H3

InChIKey

VIHMZNMSEVOOPY-UHFFFAOYSA-N

Compound name

N-(1,3-benzothiazol-2-ylsulfanyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 213
Patents: 224.04419 Da
Monoisotopic Mass: 3.3
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]+	225.05147	143.4
[M+Na]+	247.03341	153.7
[M-H]-	223.03691	147.2
[M+NH4]+	242.07801	164.3
[M+K]+	263.00735	149.0
[M+H-H2O]+	207.04145	137.8
[M+HCOO]-	269.04239	157.7
[M+CH3COO]-	283.05804	156.5
[M+Na-2H]-	245.01886	146.3
[M]+	224.04364	147.8
[M]-	224.04474	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe