CID 1471603

Cyclohexylthiourea

Structural Information

Molecular Formula

C₇H₁₄N₂S

SMILES

C1CCC(CC1)NC(=S)N

InChI

InChI=1S/C7H14N2S/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)

InChIKey

LEEHHPPLIOFGSC-UHFFFAOYSA-N

Compound name

cyclohexylthiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 649
Patents: 158.08777 Da
Monoisotopic Mass: 1.4
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]+	159.09505	133.4
[M+Na]+	181.07699	137.1
[M-H]-	157.08049	135.6
[M+NH4]+	176.12159	153.5
[M+K]+	197.05093	134.6
[M+H-H2O]+	141.08503	127.4
[M+HCOO]-	203.08597	149.3
[M+CH3COO]-	217.10162	178.5
[M+Na-2H]-	179.06244	135.0
[M]+	158.08722	126.5
[M]-	158.08832	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe