CID 7131744

1052541-48-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂S

SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CN

InChI

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

InChIKey

AFFGOTFVNVMPSM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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	142.6
[M+Na]+	227.06133	152.3
[M-H]-	203.06483	148.6
[M+NH4]+	222.10593	162.7
[M+K]+	243.03527	147.8
[M+H-H2O]+	187.06937	135.9
[M+HCOO]-	249.07031	162.9
[M+CH3COO]-	263.08596	156.3
[M+Na-2H]-	225.04678	144.6
[M]+	204.07156	143.5
[M]-	204.07266	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe