CID 1497770

1043503-40-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂OS

SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)CCN

InChI

InChI=1S/C12H14N2OS/c1-15-10-4-2-9(3-5-10)11-8-16-12(14-11)6-7-13/h2-5,8H,6-7,13H2,1H3

InChIKey

BSDHUSABSLTXMT-UHFFFAOYSA-N

Compound name

2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.08269 Da
Monoisotopic Mass: 1.9
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]+	235.08997	150.5
[M+Na]+	257.07191	159.6
[M-H]-	233.07541	156.3
[M+NH4]+	252.11651	169.3
[M+K]+	273.04585	155.4
[M+H-H2O]+	217.07995	143.4
[M+HCOO]-	279.08089	170.7
[M+CH3COO]-	293.09654	190.7
[M+Na-2H]-	255.05736	152.1
[M]+	234.08214	153.2
[M]-	234.08324	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe