CID 4407731

642929-37-1

Structural Information

Molecular Formula

C₇H₁₂N₂S

SMILES

CC1=CSC(=N1)CCNC

InChI

InChI=1S/C7H12N2S/c1-6-5-10-7(9-6)3-4-8-2/h5,8H,3-4H2,1-2H3

InChIKey

SDGKLGARMJZKJY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	157.079386	131.3
[M+Na]+	179.061328	140.1
[M-H]-	155.064834	134.2
[M+NH4]+	174.105933	153.5
[M+K]+	195.035268	137.9
[M+H-H2O]+	139.069370	125.2
[M+HCOO]-	201.070311	151.7
[M+CH3COO]-	215.085961	177.8
[M+Na-2H]-	177.046776	134.3
[M]+	156.07156142	133.6
[M]-	156.07265858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe