CID 3407485

3-amino-1-(2,3-dimethylcyclohexyl)thiourea

Structural Information

Molecular Formula

C₉H₁₉N₃S

SMILES

CC1CCCC(C1C)NC(=S)NN

InChI

InChI=1S/C9H19N3S/c1-6-4-3-5-8(7(6)2)11-9(13)12-10/h6-8H,3-5,10H2,1-2H3,(H2,11,12,13)

InChIKey

CWRNCGLPEHAFHA-UHFFFAOYSA-N

Compound name

1-amino-3-(2,3-dimethylcyclohexyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 201.12997 Da
Monoisotopic Mass: 1.9
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]+	202.13725	145.5
[M+Na]+	224.11919	152.2
[M+NH4]+	219.16379	153.6
[M+K]+	240.09313	145.4
[M-H]-	200.12269	148.5
[M+Na-2H]-	222.10464	148.5
[M]+	201.12942	147.3
[M]-	201.13052	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe