CID 113816

Dtxsid40980150

Structural Information

Molecular Formula

C₃H₁₀NO₄PS

SMILES

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

InChI

InChI=1S/C3H10NO4PS/c4-1-3(5)2-10-9(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)

InChIKey

AWFDOAUBMAHQFU-UHFFFAOYSA-N

Compound name

(3-amino-2-hydroxypropyl)sulfanylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 24
References: 18
Patents: 187.00682 Da
Monoisotopic Mass: -5.0
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]+	188.014096	137.4
[M+Na]+	209.996038	142.8
[M-H]-	185.999544	131.9
[M+NH4]+	205.040643	155.1
[M+K]+	225.969978	140.8
[M+H-H2O]+	170.004080	130.4
[M+HCOO]-	232.005021	156.4
[M+CH3COO]-	246.020671	174.0
[M+Na-2H]-	207.981486	136.8
[M]+	187.00627142	137.0
[M]-	187.00736858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe