CID 7021158

[(1s)-1-aminohexyl]phosphonic acid

Structural Information

Molecular Formula

C₆H₁₆NO₃P

SMILES

CCCCC[C@@H](N)P(=O)(O)O

InChI

InChI=1S/C6H16NO3P/c1-2-3-4-5-6(7)11(8,9)10/h6H,2-5,7H2,1H3,(H2,8,9,10)/t6-/m0/s1

InChIKey

ODMTWOKJHVPSLP-LURJTMIESA-N

Compound name

[(1S)-1-aminohexyl]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 181.08678 Da
Monoisotopic Mass: -2.3
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]+	182.09406	145.0
[M+Na]+	204.07600	150.3
[M-H]-	180.07950	140.7
[M+NH4]+	199.12060	163.5
[M+K]+	220.04994	149.2
[M+H-H2O]+	164.08404	138.2
[M+HCOO]-	226.08498	169.4
[M+CH3COO]-	240.10063	179.4
[M+Na-2H]-	202.06145	145.7
[M]+	181.08623	144.5
[M]-	181.08733	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe