CID 61871598

1192067-14-3

Structural Information

Molecular Formula

C₈H₁₆N₂S

SMILES

CC1(CCCCC1)NC(=S)N

InChI

InChI=1S/C8H16N2S/c1-8(10-7(9)11)5-3-2-4-6-8/h2-6H2,1H3,(H3,9,10,11)

InChIKey

JAVLZKCFFTZCKR-UHFFFAOYSA-N

Compound name

(1-methylcyclohexyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.10342 Da
Monoisotopic Mass: 1.6
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]+	173.11070	137.7
[M+Na]+	195.09264	145.3
[M+NH4]+	190.13724	148.0
[M+K]+	211.06658	136.3
[M-H]-	171.09614	140.4
[M+Na-2H]-	193.07809	143.4
[M]+	172.10287	139.8
[M]-	172.10397	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.