CID 5277471

68291-19-0

Structural Information

Molecular Formula

C₈H₁₉NO₆P₂

SMILES

CC1CCCC(N1C(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C8H19NO6P2/c1-6-4-3-5-7(2)9(6)8(16(10,11)12)17(13,14)15/h6-8H,3-5H2,1-2H3,(H2,10,11,12)(H2,13,14,15)

InChIKey

DPJDBLQKCXWIKU-UHFFFAOYSA-N

Compound name

[(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6
Patents: 287.06876 Da
Monoisotopic Mass: -3.7
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]+	288.07604	166.8
[M+Na]+	310.05798	170.5
[M-H]-	286.06148	160.8
[M+NH4]+	305.10258	179.1
[M+K]+	326.03192	169.8
[M+H-H2O]+	270.06602	157.5
[M+HCOO]-	332.06696	187.3
[M+CH3COO]-	346.08261	191.8
[M+Na-2H]-	308.04343	164.6
[M]+	287.06821	163.8
[M]-	287.06931	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe