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 169.1
[M+Na]+ 283.96957 174.3
[M-H]- 259.97307 171.6
[M+NH4]+ 279.01417 172.5
[M+K]+ 299.94351 157.1
[M+H-H2O]+ 243.97761 150.1
[M+HCOO]- 305.97855 184.5
[M+CH3COO]- 319.99420 177.7
[M+Na-2H]- 281.95502 159.8
[M]+ 260.97980 159.7
[M]- 260.98090 159.7
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.