CID 169492789

Chebi:228148

Structural Information

Molecular Formula
C9H15NO7
SMILES
C[C@@H](C(=O)O)N=C[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O
InChI
InChI=1S/C9H15NO7/c1-4(8(14)15)10-3-9(16)7(13)6(12)5(11)2-17-9/h3-7,11-13,16H,2H2,1H3,(H,14,15)/t4-,5+,6+,7-,9+/m0/s1
InChIKey
CBQODBIUUCCMKO-SDBNBOCMSA-N
Compound name
(2S)-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylideneamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.08485 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09213 152.4
[M+Na]+ 272.07407 157.6
[M+NH4]+ 267.11867 156.8
[M+K]+ 288.04801 156.3
[M-H]- 248.07757 150.1
[M+Na-2H]- 270.05952 152.1
[M]+ 249.08430 151.8
[M]- 249.08540 151.8
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.