CID 3845545

879151-93-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂S

SMILES

COC1=CC=CC=C1OCC2=CSC(=N2)N

InChI

InChI=1S/C11H12N2O2S/c1-14-9-4-2-3-5-10(9)15-6-8-7-16-11(12)13-8/h2-5,7H,6H2,1H3,(H2,12,13)

InChIKey

DTPRZLWFPUQMST-UHFFFAOYSA-N

Compound name

4-[(2-methoxyphenoxy)methyl]-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 236.06195 Da
Monoisotopic Mass: 2.1
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]+	237.069226	149.4
[M+Na]+	259.051168	158.7
[M-H]-	235.054674	155.3
[M+NH4]+	254.095773	168.0
[M+K]+	275.025108	155.2
[M+H-H2O]+	219.059210	142.2
[M+HCOO]-	281.060151	170.1
[M+CH3COO]-	295.075801	189.8
[M+Na-2H]-	257.036616	151.6
[M]+	236.06140142	153.0
[M]-	236.06249858	153.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.