CID 23540

7152-80-9

Structural Information

Molecular Formula

C₉H₁₀N₂S

SMILES

CN(C)C1=CC=C(C=C1)SC#N

InChI

InChI=1S/C9H10N2S/c1-11(2)8-3-5-9(6-4-8)12-7-10/h3-6H,1-2H3

InChIKey

WCCIEZDFRJREQJ-UHFFFAOYSA-N

Compound name

[4-(dimethylamino)phenyl] thiocyanate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 42
Patents: 178.05647 Da
Monoisotopic Mass: 2.6
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]+	179.06375	134.9
[M+Na]+	201.04569	146.7
[M+NH4]+	196.09029	141.1
[M+K]+	217.01963	135.6
[M-H]-	177.04919	131.4
[M+Na-2H]-	199.03114	139.9
[M]+	178.05592	135.2
[M]-	178.05702	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe