CID 62653717

[(5-ethyl-1,3-thiazol-2-yl)methyl](methyl)amine

Structural Information

Molecular Formula

C₇H₁₂N₂S

SMILES

CCC1=CN=C(S1)CNC

InChI

InChI=1S/C7H12N2S/c1-3-6-4-9-7(10-6)5-8-2/h4,8H,3,5H2,1-2H3

InChIKey

ALJUOGJXOAGTPY-UHFFFAOYSA-N

Compound name

1-(5-ethyl-1,3-thiazol-2-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 156.07211 Da
Monoisotopic Mass: 1.2
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	132.8
[M+Na]+	179.06133	143.4
[M+NH4]+	174.10593	142.0
[M+K]+	195.03527	136.8
[M-H]-	155.06483	135.0
[M+Na-2H]-	177.04678	138.1
[M]+	156.07156	135.2
[M]-	156.07266	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe