CID 4777625

Ethyl-thiazol-2-ylmethyl-amine

Structural Information

Molecular Formula

C₆H₁₀N₂S

SMILES

CCNCC1=NC=CS1

InChI

InChI=1S/C6H10N2S/c1-2-7-5-6-8-3-4-9-6/h3-4,7H,2,5H2,1H3

InChIKey

ICZJAGGKGHNBQO-UHFFFAOYSA-N

Compound name

N-(1,3-thiazol-2-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 142.05647 Da
Monoisotopic Mass: 0.7
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]+	143.06375	127.0
[M+Na]+	165.04569	135.3
[M-H]-	141.04919	129.7
[M+NH4]+	160.09029	149.5
[M+K]+	181.01963	133.5
[M+H-H2O]+	125.05373	120.8
[M+HCOO]-	187.05467	147.7
[M+CH3COO]-	201.07032	173.7
[M+Na-2H]-	163.03114	131.2
[M]+	142.05592	128.6
[M]-	142.05702	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe