CID 6335657

68298-45-3

Structural Information

Molecular Formula
C4H9NO8P2
SMILES
C(C(=O)O)N(CO[P+](=O)O)CO[P+](=O)O
InChI
InChI=1S/C4H7NO8P2/c6-4(7)1-5(2-12-14(8)9)3-13-15(10)11/h1-3H2,(H-2,6,7,8,9,10,11)/p+2
InChIKey
RHYNNUVITIYSIV-UHFFFAOYSA-P
Compound name
[carboxymethyl-[[hydroxy(oxo)phosphaniumyl]oxymethyl]amino]methoxy-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.98035 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.98763 150.9
[M+Na]+ 283.96957 159.3
[M+NH4]+ 279.01417 160.9
[M+K]+ 299.94351 168.4
[M-H]- 259.97307 147.6
[M+Na-2H]- 281.95502 151.0
[M]+ 260.97980 153.8
[M]- 260.98090 153.8
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.