CID 1810303

4-butyl-3-thiosemicarbazide

Structural Information

Molecular Formula

C₅H₁₃N₃S

SMILES

CCCCNC(=S)NN

InChI

InChI=1S/C5H13N3S/c1-2-3-4-7-5(9)8-6/h2-4,6H2,1H3,(H2,7,8,9)

InChIKey

KNGDMOLRXYKGAD-UHFFFAOYSA-N

Compound name

1-amino-3-butylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 147.08302 Da
Monoisotopic Mass: 0.0
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]+	148.09030	131.6
[M+Na]+	170.07224	138.1
[M+NH4]+	165.11684	139.3
[M+K]+	186.04618	131.7
[M-H]-	146.07574	132.4
[M+Na-2H]-	168.05769	134.2
[M]+	147.08247	132.7
[M]-	147.08357	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe