CID 81950

7447-44-1

Structural Information

Molecular Formula

C₄H₁₂NO₃PS

SMILES

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

InChI

InChI=1S/C4H12NO3PS/c1-4(2,5)3-10-9(6,7)8/h3,5H2,1-2H3,(H2,6,7,8)

InChIKey

XIRIZZCWCUUYLK-UHFFFAOYSA-N

Compound name

(2-amino-2-methylpropyl)sulfanylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.02756 Da
Monoisotopic Mass: -3.8
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]+	186.03484	139.9
[M+Na]+	208.01678	146.1
[M-H]-	184.02028	136.0
[M+NH4]+	203.06138	158.7
[M+K]+	223.99072	144.3
[M+H-H2O]+	168.02482	133.3
[M+HCOO]-	230.02576	159.3
[M+CH3COO]-	244.04141	176.8
[M+Na-2H]-	206.00223	141.2
[M]+	185.02701	140.4
[M]-	185.02811	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.