CID 25137912

2-amino-2,3,7-trideoxy-d-lyxo-hept-6-ulosonic acid

Structural Information

Molecular Formula
C7H13NO5
SMILES
CC(=O)[C@H]([C@@H](C[C@@H](C(=O)O)N)O)O
InChI
InChI=1S/C7H13NO5/c1-3(9)6(11)5(10)2-4(8)7(12)13/h4-6,10-11H,2,8H2,1H3,(H,12,13)/t4-,5+,6+/m0/s1
InChIKey
IFMHGOADXGYWMO-KVQBGUIXSA-N
Compound name
(2S,4R,5S)-2-amino-4,5-dihydroxy-6-oxoheptanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

26
Patents

191.07938 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08666 142.2
[M+Na]+ 214.06860 146.0
[M-H]- 190.07210 137.6
[M+NH4]+ 209.11320 158.3
[M+K]+ 230.04254 146.3
[M+H-H2O]+ 174.07664 137.1
[M+HCOO]- 236.07758 158.0
[M+CH3COO]- 250.09323 180.3
[M+Na-2H]- 212.05405 139.8
[M]+ 191.07883 138.7
[M]- 191.07993 138.7
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

No patent data available for this compound.