CID 19847526

122828-98-2

Structural Information

Molecular Formula

C₈H₁₇N₃S

SMILES

CN(C1CCCCC1)C(=S)NN

InChI

InChI=1S/C8H17N3S/c1-11(8(12)10-9)7-5-3-2-4-6-7/h7H,2-6,9H2,1H3,(H,10,12)

InChIKey

MCRILYZXLMKAEB-UHFFFAOYSA-N

Compound name

3-amino-1-cyclohexyl-1-methylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 187.11432 Da
Monoisotopic Mass: 1.2
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]+	188.12160	141.6
[M+Na]+	210.10354	144.1
[M-H]-	186.10704	144.8
[M+NH4]+	205.14814	160.8
[M+K]+	226.07748	142.8
[M+H-H2O]+	170.11158	134.6
[M+HCOO]-	232.11252	158.5
[M+CH3COO]-	246.12817	189.4
[M+Na-2H]-	208.08899	142.4
[M]+	187.11377	135.4
[M]-	187.11487	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe