CID 93502

94317-64-3

Structural Information

Molecular Formula

C₄H₁₄N₃PS

SMILES

CCCCNP(=S)(N)N

InChI

InChI=1S/C4H14N3PS/c1-2-3-4-7-8(5,6)9/h2-4H2,1H3,(H5,5,6,7,9)

InChIKey

HEPPIYNOUFWEPP-UHFFFAOYSA-N

Compound name

N-diaminophosphinothioylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 32
References: 2213
Patents: 167.0646 Da
Monoisotopic Mass: 0.6
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]+	168.07188	134.6
[M+Na]+	190.05382	140.0
[M-H]-	166.05732	132.6
[M+NH4]+	185.09842	154.6
[M+K]+	206.02776	137.5
[M+H-H2O]+	150.06186	126.5
[M+HCOO]-	212.06280	158.9
[M+CH3COO]-	226.07845	184.7
[M+Na-2H]-	188.03927	134.9
[M]+	167.06405	132.5
[M]-	167.06515	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe