CID 19104068

2248268-06-4

Structural Information

Molecular Formula

C₁₁H₁₂N₂S

SMILES

CC1=CSC(=N1)C(C2=CC=CC=C2)N

InChI

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

InChIKey

TUHLDLXNTQTBCO-UHFFFAOYSA-N

Compound name

(4-methyl-1,3-thiazol-2-yl)-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 204.07211 Da
Monoisotopic Mass: 1.9
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	151.7
[M-H]-	203.06483	148.9
[M+NH4]+	222.10593	163.0
[M+K]+	243.03527	147.8
[M+H-H2O]+	187.06937	136.4
[M+HCOO]-	249.07031	162.5
[M+CH3COO]-	263.08596	156.4
[M+Na-2H]-	225.04678	144.9
[M]+	204.07156	143.2
[M]-	204.07266	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe