CID 91223

Thiadrine thiocyanate

Structural Information

Molecular Formula

C₁₁H₁₄N₂S

SMILES

CC1C(SC(=N)N1C)C2=CC=CC=C2

InChI

InChI=1S/C11H14N2S/c1-8-10(14-11(12)13(8)2)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3

InChIKey

GMFUTRCIEWHKBH-UHFFFAOYSA-N

Compound name

3,4-dimethyl-5-phenyl-1,3-thiazolidin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 206.08777 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]+	207.09505	144.5
[M+Na]+	229.07699	153.2
[M-H]-	205.08049	150.5
[M+NH4]+	224.12159	164.8
[M+K]+	245.05093	149.0
[M+H-H2O]+	189.08503	138.0
[M+HCOO]-	251.08597	162.6
[M+CH3COO]-	265.10162	187.3
[M+Na-2H]-	227.06244	144.8
[M]+	206.08722	143.2
[M]-	206.08832	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe