CID 3059971

4,5,6,7-tetrahydro-n-methyl-2-(1-methylethyl)-5-benzothiazolemethanamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₀N₂S

SMILES

CC(C)C1=NC2=C(S1)CCC(C2)CNC

InChI

InChI=1S/C12H20N2S/c1-8(2)12-14-10-6-9(7-13-3)4-5-11(10)15-12/h8-9,13H,4-7H2,1-3H3

InChIKey

POVNCAJVJMSJEW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 224.13472 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]+	225.141996	151.2
[M+Na]+	247.123938	157.9
[M-H]-	223.127444	154.1
[M+NH4]+	242.168543	171.8
[M+K]+	263.097878	154.7
[M+H-H2O]+	207.131980	145.1
[M+HCOO]-	269.132921	166.1
[M+CH3COO]-	283.148571	192.7
[M+Na-2H]-	245.109386	151.5
[M]+	224.13417142	151.4
[M]-	224.13526858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe