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: 1
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]+	173.110696	137.1
[M+Na]+	195.092638	141.1
[M-H]-	171.096144	139.3
[M+NH4]+	190.137243	158.7
[M+K]+	211.066578	138.8
[M+H-H2O]+	155.100680	131.9
[M+HCOO]-	217.101621	152.6
[M+CH3COO]-	231.117271	181.1
[M+Na-2H]-	193.078086	139.6
[M]+	172.10287142	130.9
[M]-	172.10396858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe