CID 7130823

868238-07-7

Structural Information

Molecular Formula

C₉H₁₀N₂S₂

SMILES

CC1=NC(=CS1)C2=CC=C(S2)CN

InChI

InChI=1S/C9H10N2S2/c1-6-11-8(5-12-6)9-3-2-7(4-10)13-9/h2-3,5H,4,10H2,1H3

InChIKey

KKXXKTKEZQJYKE-UHFFFAOYSA-N

Compound name

[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 210.02853 Da
Monoisotopic Mass: 1.6
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]+	211.03581	142.6
[M+Na]+	233.01775	154.0
[M+NH4]+	228.06235	152.4
[M+K]+	248.99169	147.1
[M-H]-	209.02125	146.9
[M+Na-2H]-	231.00320	148.8
[M]+	210.02798	146.3
[M]-	210.02908	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe