CID 3040932

2-benzyl-4,4-dimethyl-2-thiazoline

Structural Information

Molecular Formula

C₁₂H₁₅NS

SMILES

CC1(CSC(=N1)CC2=CC=CC=C2)C

InChI

InChI=1S/C12H15NS/c1-12(2)9-14-11(13-12)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

InChIKey

FBJLAZQFAKLTKS-UHFFFAOYSA-N

Compound name

2-benzyl-4,4-dimethyl-5H-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 205.09251 Da
Monoisotopic Mass: 2.5
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]+	206.099786	143.8
[M+Na]+	228.081728	152.9
[M-H]-	204.085234	149.7
[M+NH4]+	223.126333	166.2
[M+K]+	244.055668	149.4
[M+H-H2O]+	188.089770	137.6
[M+HCOO]-	250.090711	162.1
[M+CH3COO]-	264.106361	157.4
[M+Na-2H]-	226.067176	146.7
[M]+	205.09196142	145.3
[M]-	205.09305858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe