CID 56623889

916809-14-8

Structural Information

Molecular Formula

C₃H₁₂N₃PS

SMILES

CCCNP(=S)(N)N

InChI

InChI=1S/C3H12N3PS/c1-2-3-6-7(4,5)8/h2-3H2,1H3,(H5,4,5,6,8)

InChIKey

MPOFVZMCKSOGHZ-UHFFFAOYSA-N

Compound name

N-diaminophosphinothioylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 505
Patents: 153.04895 Da
Monoisotopic Mass: 0.3
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]+	154.05623	131.4
[M+Na]+	176.03817	137.3
[M+NH4]+	171.08277	138.6
[M+K]+	192.01211	132.0
[M-H]-	152.04167	131.2
[M+Na-2H]-	174.02362	133.3
[M]+	153.04840	132.1
[M]-	153.04950	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe