CID 3053106

Phosphonic acid, (1-amino-3-(diethoxyphosphinyl)propylidene)bis-, dihydrate

Structural Information

Molecular Formula
C7H20NO9P3
SMILES
CCOP(=O)(CCC(N)(P(=O)(O)O)P(=O)(O)O)OCC
InChI
InChI=1S/C7H20NO9P3/c1-3-16-18(9,17-4-2)6-5-7(8,19(10,11)12)20(13,14)15/h3-6,8H2,1-2H3,(H2,10,11,12)(H2,13,14,15)
InChIKey
VNRTZLGDHUVBBX-UHFFFAOYSA-N
Compound name
(1-amino-3-diethoxyphosphoryl-1-phosphonopropyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0351 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.04238 168.3
[M+Na]+ 378.02432 168.9
[M-H]- 354.02782 171.2
[M+NH4]+ 373.06892 167.8
[M+K]+ 393.99826 159.0
[M+H-H2O]+ 338.03236 139.0
[M+HCOO]- 400.03330 185.4
[M+CH3COO]- 414.04895 205.3
[M+Na-2H]- 376.00977 153.3
[M]+ 355.03455 163.0
[M]- 355.03565 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.