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: 523
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	130.2
[M+Na]+	176.03817	136.0
[M-H]-	152.04167	128.4
[M+NH4]+	171.08277	150.7
[M+K]+	192.01211	133.8
[M+H-H2O]+	136.04621	122.3
[M+HCOO]-	198.04715	154.8
[M+CH3COO]-	212.06280	181.7
[M+Na-2H]-	174.02362	130.9
[M]+	153.04840	127.7
[M]-	153.04950	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe