CID 3059959

77528-73-5

Structural Information

Molecular Formula

C₁₀H₁₆N₂S

SMILES

CC1=NC2=C(S1)CC(CC2)CNC

InChI

InChI=1S/C10H16N2S/c1-7-12-9-4-3-8(6-11-2)5-10(9)13-7/h8,11H,3-6H2,1-2H3

InChIKey

RPJDREGXHFGIBJ-UHFFFAOYSA-N

Compound name

N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 196.10342 Da
Monoisotopic Mass: 1.9
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]+	197.11070	141.6
[M+Na]+	219.09264	149.5
[M-H]-	195.09614	144.8
[M+NH4]+	214.13724	163.4
[M+K]+	235.06658	146.3
[M+H-H2O]+	179.10068	135.7
[M+HCOO]-	241.10162	158.2
[M+CH3COO]-	255.11727	185.9
[M+Na-2H]-	217.07809	144.0
[M]+	196.10287	141.7
[M]-	196.10397	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe