CID 15670034

142437-68-1

Structural Information

Molecular Formula

C₇H₁₂N₂S

SMILES

CC1=C(SC(=N1)C)CCN

InChI

InChI=1S/C7H12N2S/c1-5-7(3-4-8)10-6(2)9-5/h3-4,8H2,1-2H3

InChIKey

VPRBZFPSDKDVFD-UHFFFAOYSA-N

Compound name

2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 156.07211 Da
Monoisotopic Mass: 1.1
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]+	157.07939	132.9
[M+Na]+	179.06133	143.5
[M+NH4]+	174.10593	141.9
[M+K]+	195.03527	137.4
[M-H]-	155.06483	134.9
[M+Na-2H]-	177.04678	137.5
[M]+	156.07156	135.3
[M]-	156.07266	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe