CID 44140568

2-amino-4,5-dihydroxy-6-oxo-7-(phosphooxy)heptanoate

Structural Information

Molecular Formula
C7H14NO9P
SMILES
C(C(C(C(=O)COP(=O)(O)O)O)O)C(C(=O)O)N
InChI
InChI=1S/C7H14NO9P/c8-3(7(12)13)1-4(9)6(11)5(10)2-17-18(14,15)16/h3-4,6,9,11H,1-2,8H2,(H,12,13)(H2,14,15,16)
InChIKey
OABFYXXSGQYCAM-UHFFFAOYSA-N
Compound name
2-amino-4,5-dihydroxy-6-oxo-7-phosphonooxyheptanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7
Patents

287.04062 Da
Monoisotopic Mass

-6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04790 158.6
[M+Na]+ 310.02984 160.7
[M-H]- 286.03334 149.9
[M+NH4]+ 305.07444 159.1
[M+K]+ 326.00378 162.1
[M+H-H2O]+ 270.03788 151.1
[M+HCOO]- 332.03882 160.4
[M+CH3COO]- 346.05447 191.8
[M+Na-2H]- 308.01529 154.3
[M]+ 287.04007 157.2
[M]- 287.04117 157.2
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

patents stripe