CID 24229587

933742-59-7

Structural Information

Molecular Formula

C₁₀H₁₁N₃S

SMILES

CC1=C(SC(=N1)C2=CC=NC=C2)CN

InChI

InChI=1S/C10H11N3S/c1-7-9(6-11)14-10(13-7)8-2-4-12-5-3-8/h2-5H,6,11H2,1H3

InChIKey

HSWRYUZXDMQDGC-UHFFFAOYSA-N

Compound name

(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 205.06737 Da
Monoisotopic Mass: 0.8
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]+	206.074646	142.2
[M+Na]+	228.056588	152.5
[M-H]-	204.060094	147.0
[M+NH4]+	223.101193	161.0
[M+K]+	244.030528	148.1
[M+H-H2O]+	188.064630	134.9
[M+HCOO]-	250.065571	161.6
[M+CH3COO]-	264.081221	155.6
[M+Na-2H]-	226.042036	144.7
[M]+	205.06682142	143.3
[M]-	205.06791858	143.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.