CID 595757

959026-08-5

Structural Information

Molecular Formula

C₁₀H₁₀N₂S

SMILES

C1=CC=C(C=C1)C2=CN=C(S2)CN

InChI

InChI=1S/C10H10N2S/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h1-5,7H,6,11H2

InChIKey

MMPGPTYOLQERSX-UHFFFAOYSA-N

Compound name

(5-phenyl-1,3-thiazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 190.05647 Da
Monoisotopic Mass: 1.5
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]+	191.06375	138.0
[M+Na]+	213.04569	147.3
[M-H]-	189.04919	143.8
[M+NH4]+	208.09029	158.4
[M+K]+	229.01963	143.1
[M+H-H2O]+	173.05373	131.2
[M+HCOO]-	235.05467	158.7
[M+CH3COO]-	249.07032	151.8
[M+Na-2H]-	211.03114	141.3
[M]+	190.05592	138.2
[M]-	190.05702	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe