CID 46784224

920480-06-4

Structural Information

Molecular Formula

C₈H₁₄N₂S

SMILES

CC(C)CNCC1=NC=CS1

InChI

InChI=1S/C8H14N2S/c1-7(2)5-9-6-8-10-3-4-11-8/h3-4,7,9H,5-6H2,1-2H3

InChIKey

BHSRMJOAVCEUDM-UHFFFAOYSA-N

Compound name

2-methyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 170.08777 Da
Monoisotopic Mass: 1.7
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	136.9
[M+Na]+	193.07699	144.0
[M-H]-	169.08049	139.3
[M+NH4]+	188.12159	158.1
[M+K]+	209.05093	142.1
[M+H-H2O]+	153.08503	130.3
[M+HCOO]-	215.08597	155.9
[M+CH3COO]-	229.10162	180.6
[M+Na-2H]-	191.06244	138.9
[M]+	170.08722	138.5
[M]-	170.08832	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe