CID 10464928

1433996-75-8

Structural Information

Molecular Formula

C₆H₁₆NO₃P

SMILES

C(CCCP(=O)(O)O)CCN

InChI

InChI=1S/C6H16NO3P/c7-5-3-1-2-4-6-11(8,9)10/h1-7H2,(H2,8,9,10)

InChIKey

NVAGWCCQNNOKNC-UHFFFAOYSA-N

Compound name

6-aminohexylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 316
Patents: 181.08678 Da
Monoisotopic Mass: -3.4
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]+	182.09406	144.6
[M+Na]+	204.07600	150.1
[M-H]-	180.07950	140.2
[M+NH4]+	199.12060	163.2
[M+K]+	220.04994	148.5
[M+H-H2O]+	164.08404	137.7
[M+HCOO]-	226.08498	170.0
[M+CH3COO]-	240.10063	178.6
[M+Na-2H]-	202.06145	146.6
[M]+	181.08623	144.8
[M]-	181.08733	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe