CID 112677210

1909306-59-7

Structural Information

Molecular Formula

C₁₄H₁₅FN₂S

SMILES

CC1=C(N=C(S1)C2(CCC2)N)C3=CC=CC=C3F

InChI

InChI=1S/C14H15FN2S/c1-9-12(10-5-2-3-6-11(10)15)17-13(18-9)14(16)7-4-8-14/h2-3,5-6H,4,7-8,16H2,1H3

InChIKey

VZHBWIFWJBAXED-UHFFFAOYSA-N

Compound name

1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.094 Da
Monoisotopic Mass: 2.7
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]+	263.101276	153.6
[M+Na]+	285.083218	161.2
[M-H]-	261.086724	160.7
[M+NH4]+	280.127823	166.5
[M+K]+	301.057158	159.1
[M+H-H2O]+	245.091260	140.4
[M+HCOO]-	307.092201	170.0
[M+CH3COO]-	321.107851	165.3
[M+Na-2H]-	283.068666	153.7
[M]+	262.09345142	160.9
[M]-	262.09454858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.