CID 2759509

65259-91-8

Structural Information

Molecular Formula

C₁₀H₁₄N₂S

SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N

InChI

InChI=1S/C10H14N2S/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)

InChIKey

HYJQJTWSGAJMDV-UHFFFAOYSA-N

Compound name

(4-propan-2-ylphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 194.08777 Da
Monoisotopic Mass: 1.9
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]+	195.09505	143.2
[M+Na]+	217.07699	153.1
[M+NH4]+	212.12159	151.8
[M+K]+	233.05093	145.6
[M-H]-	193.08049	146.3
[M+Na-2H]-	215.06244	148.7
[M]+	194.08722	145.7
[M]-	194.08832	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe