CID 86675804

(2-cyclopropylphenyl)thiourea

Structural Information

Molecular Formula

C₁₀H₁₂N₂S

SMILES

C1CC1C2=CC=CC=C2NC(=S)N

InChI

InChI=1S/C10H12N2S/c11-10(13)12-9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6H2,(H3,11,12,13)

InChIKey

XFDMEXSYLXNBIC-UHFFFAOYSA-N

Compound name

(2-cyclopropylphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 192.07211 Da
Monoisotopic Mass: 2.0
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]+	193.07939	140.5
[M+Na]+	215.06133	152.5
[M+NH4]+	210.10593	150.3
[M+K]+	231.03527	146.0
[M-H]-	191.06483	151.9
[M+Na-2H]-	213.04678	150.1
[M]+	192.07156	146.9
[M]-	192.07266	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe