CID 56928076

Aminodahp

Structural Information

Molecular Formula
C7H14NO9P
SMILES
C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)N)C(=O)C(=O)O
InChI
InChI=1S/C7H14NO9P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,10-11H,1-2,8H2,(H,12,13)(H2,14,15,16)/t3-,5-,6+/m1/s1
InChIKey
ZGCVXINXGQLNFK-PUFIMZNGSA-N
Compound name
(4R,5S,6R)-4-amino-5,6-dihydroxy-2-oxo-7-phosphonooxyheptanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

32
Patents

287.04062 Da
Monoisotopic Mass

-6.6
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

literature stripe

Patent stripe

patents stripe