CID 10749687

154212-60-9

Structural Information

Molecular Formula

C₈H₁₄N₂S

SMILES

CC(C)C1=NC(=CS1)CNC

InChI

InChI=1S/C8H14N2S/c1-6(2)8-10-7(4-9-3)5-11-8/h5-6,9H,4H2,1-3H3

InChIKey

HWSFABGWAXURNG-UHFFFAOYSA-N

Compound name

N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 241
Patents: 170.08777 Da
Monoisotopic Mass: 1.5
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]+	171.09505	136.6
[M+Na]+	193.07699	144.6
[M-H]-	169.08049	139.4
[M+NH4]+	188.12159	158.2
[M+K]+	209.05093	142.6
[M+H-H2O]+	153.08503	130.3
[M+HCOO]-	215.08597	155.5
[M+CH3COO]-	229.10162	181.7
[M+Na-2H]-	191.06244	137.9
[M]+	170.08722	138.6
[M]-	170.08832	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe