CID 446761

5-phospho-d-arabinohydroxamic acid

Structural Information

Molecular Formula
C5H12NO9P
SMILES
C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1
InChIKey
OHQFMJPEBPCIEQ-JJYYJPOSSA-N
Compound name
[(2R,3R,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

2
Patents

261.02496 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03224 151.7
[M+Na]+ 284.01418 154.2
[M-H]- 260.01768 142.4
[M+NH4]+ 279.05878 156.2
[M+K]+ 299.98812 155.5
[M+H-H2O]+ 244.02222 144.4
[M+HCOO]- 306.02316 169.5
[M+CH3COO]- 320.03881 183.5
[M+Na-2H]- 281.99963 149.9
[M]+ 261.02441 150.0
[M]- 261.02551 150.0
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