CID 2759507

[2-(propan-2-yl)phenyl]thiourea

Structural Information

Molecular Formula

C₁₀H₁₄N₂S

SMILES

CC(C)C1=CC=CC=C1NC(=S)N

InChI

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

InChIKey

FUKKXMVIGCLNGG-UHFFFAOYSA-N

Compound name

(2-propan-2-ylphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 170
Patents: 194.08777 Da
Monoisotopic Mass: 1.7
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]+	195.095046	142.7
[M+Na]+	217.076988	148.8
[M-H]-	193.080494	145.9
[M+NH4]+	212.121593	161.9
[M+K]+	233.050928	145.3
[M+H-H2O]+	177.085030	136.4
[M+HCOO]-	239.085971	160.9
[M+CH3COO]-	253.101621	188.5
[M+Na-2H]-	215.062436	143.7
[M]+	194.08722142	140.9
[M]-	194.08831858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe