CID 26248854

921101-66-8

Structural Information

Molecular Formula

C₁₁H₁₂N₂S

SMILES

CNCC1=CSC(=N1)C2=CC=CC=C2

InChI

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

InChIKey

UGRXAOUDHZOHPF-UHFFFAOYSA-N

Compound name

N-methyl-1-(2-phenyl-1,3-thiazol-4-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	143.3
[M+Na]+	227.06133	156.2
[M+NH4]+	222.10593	153.2
[M+K]+	243.03527	148.2
[M-H]-	203.06483	148.2
[M+Na-2H]-	225.04678	152.1
[M]+	204.07156	147.0
[M]-	204.07266	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe