CID 591790

28291-75-0

Structural Information

Molecular Formula

C₁₃H₁₆N₂S

SMILES

C1CCC(CC1)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H16N2S/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h4-5,8-10H,1-3,6-7H2,(H,14,15)

InChIKey

UPWPIFMHSFSVLE-UHFFFAOYSA-N

Compound name

N-cyclohexyl-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 232.10342 Da
Monoisotopic Mass: 4.4
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]+	233.11070	148.7
[M+Na]+	255.09264	161.4
[M+NH4]+	250.13724	159.4
[M+K]+	271.06658	152.9
[M-H]-	231.09614	154.3
[M+Na-2H]-	253.07809	156.9
[M]+	232.10287	152.6
[M]-	232.10397	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe