CID 3088179

Phosphonic acid, 1-piperidinyl-, disodium salt

Structural Information

Molecular Formula

C₅H₁₂NO₃P

SMILES

C1CCN(CC1)P(=O)(O)O

InChI

InChI=1S/C5H12NO3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H2,(H2,7,8,9)

InChIKey

MTFNJKRFGHJBCV-UHFFFAOYSA-N

Compound name

piperidin-1-ylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 25
Patents: 165.05548 Da
Monoisotopic Mass: -0.5
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]+	166.06276	136.3
[M+Na]+	188.04470	141.4
[M-H]-	164.04820	134.0
[M+NH4]+	183.08930	154.3
[M+K]+	204.01864	140.5
[M+H-H2O]+	148.05274	128.7
[M+HCOO]-	210.05368	157.8
[M+CH3COO]-	224.06933	170.3
[M+Na-2H]-	186.03015	139.5
[M]+	165.05493	131.7
[M]-	165.05603	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe