CID 52346214

3-amino-1-cyclobutylthiourea

Structural Information

Molecular Formula

C₅H₁₁N₃S

SMILES

C1CC(C1)NC(=S)NN

InChI

InChI=1S/C5H11N3S/c6-8-5(9)7-4-2-1-3-4/h4H,1-3,6H2,(H2,7,8,9)

InChIKey

ZJFHTCPHHWLYDQ-UHFFFAOYSA-N

Compound name

1-amino-3-cyclobutylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 145.06737 Da
Monoisotopic Mass: 0.1
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]+	146.07465	130.5
[M+Na]+	168.05659	132.7
[M-H]-	144.06009	132.7
[M+NH4]+	163.10119	143.8
[M+K]+	184.03053	134.2
[M+H-H2O]+	128.06463	117.2
[M+HCOO]-	190.06557	148.0
[M+CH3COO]-	204.08122	182.0
[M+Na-2H]-	166.04204	132.3
[M]+	145.06682	133.8
[M]-	145.06792	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.