CID 522700

S-2,3-diaminopropyl dihydrogen phosphorothioate

Structural Information

Molecular Formula

C₃H₁₁N₂O₃PS

SMILES

C(C(CSP(=O)(O)O)N)N

InChI

InChI=1S/C3H11N2O3PS/c4-1-3(5)2-10-9(6,7)8/h3H,1-2,4-5H2,(H2,6,7,8)

InChIKey

TXLJMOJYKYDULH-UHFFFAOYSA-N

Compound name

2,3-diaminopropylsulfanylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 186.0228 Da
Monoisotopic Mass: -5.3
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]+	187.03008	137.1
[M+Na]+	209.01202	142.2
[M-H]-	185.01552	132.4
[M+NH4]+	204.05662	154.9
[M+K]+	224.98596	140.1
[M+H-H2O]+	169.02006	129.5
[M+HCOO]-	231.02100	157.6
[M+CH3COO]-	245.03665	178.9
[M+Na-2H]-	206.99747	136.1
[M]+	186.02225	135.2
[M]-	186.02335	135.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.