CID 600157

643726-07-2

Structural Information

Molecular Formula

C₁₁H₁₂N₂S

SMILES

CNCC1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C11H12N2S/c1-12-7-11-13-10(8-14-11)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3

InChIKey

IWMGARGHDMDXOO-UHFFFAOYSA-N

Compound name

N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 204.07211 Da
Monoisotopic Mass: 2.0
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]+	205.07939	142.2
[M+Na]+	227.06133	151.0
[M-H]-	203.06483	148.2
[M+NH4]+	222.10593	162.3
[M+K]+	243.03527	146.9
[M+H-H2O]+	187.06937	135.1
[M+HCOO]-	249.07031	163.1
[M+CH3COO]-	263.08596	155.7
[M+Na-2H]-	225.04678	145.9
[M]+	204.07156	143.7
[M]-	204.07266	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe