CID 15936130

Phosphonic acid, ((tetrahydro-2-hydroxy-2-oxido-4h-1,4,2-oxazaphosphorin-4-yl)methyl)-

Structural Information

Molecular Formula
C4H11NO6P2
SMILES
C1COP(=O)(CN1CP(=O)(O)O)O
InChI
InChI=1S/C4H11NO6P2/c6-12(7,8)3-5-1-2-11-13(9,10)4-5/h1-4H2,(H,9,10)(H2,6,7,8)
InChIKey
BFEMYVYZNSBRML-UHFFFAOYSA-N
Compound name
(2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

231.00616 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.01344 148.3
[M+Na]+ 253.99538 154.3
[M-H]- 229.99888 144.6
[M+NH4]+ 249.03998 164.1
[M+K]+ 269.96932 155.1
[M+H-H2O]+ 214.00342 139.2
[M+HCOO]- 276.00436 173.4
[M+CH3COO]- 290.02001 179.1
[M+Na-2H]- 251.98083 151.1
[M]+ 231.00561 147.5
[M]- 231.00671 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe