CID 10749687

2-isopropyl-4-(methylaminomethyl)thiazole

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: 232
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	137.5
[M+Na]+	193.07699	147.6
[M+NH4]+	188.12159	146.4
[M+K]+	209.05093	141.5
[M-H]-	169.08049	139.5
[M+Na-2H]-	191.06244	142.3
[M]+	170.08722	139.8
[M]-	170.08832	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe