CID 92084

56269-44-4

Structural Information

Molecular Formula

C₆H₁₅NO₆P₂

SMILES

C1CCC(NCC1)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H15NO6P2/c8-14(9,10)6(15(11,12)13)4-2-1-3-5-7-6/h7H,1-5H2,(H2,8,9,10)(H2,11,12,13)

InChIKey

BYOBJKVGOIXVED-UHFFFAOYSA-N

Compound name

(2-phosphonoazepan-2-yl)phosphonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 2552
Patents: 259.03748 Da
Monoisotopic Mass: -4.9
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]+	260.04476	151.0
[M+Na]+	282.02670	153.2
[M+NH4]+	277.07130	154.1
[M+K]+	298.00064	154.0
[M-H]-	258.03020	144.9
[M+Na-2H]-	280.01215	151.4
[M]+	259.03693	148.9
[M]-	259.03803	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe