CID 1214898

72239-29-3

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂S

SMILES

C1CSC(=N1)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H11ClN2S/c11-9-3-1-8(2-4-9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13)

InChIKey

IASPZIUPJFUGFE-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.03314 Da
Monoisotopic Mass: 2.3
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]+	227.04042	146.8
[M+Na]+	249.02236	155.6
[M-H]-	225.02586	152.4
[M+NH4]+	244.06696	166.7
[M+K]+	264.99630	150.4
[M+H-H2O]+	209.03040	140.4
[M+HCOO]-	271.03134	161.9
[M+CH3COO]-	285.04699	159.7
[M+Na-2H]-	247.00781	149.4
[M]+	226.03259	148.2
[M]-	226.03369	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe