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 151.3
[M+Na]+ 272.07407 156.3
[M-H]- 248.07757 150.0
[M+NH4]+ 267.11867 165.9
[M+K]+ 288.04801 156.6
[M+H-H2O]+ 232.08211 147.0
[M+HCOO]- 294.08305 165.2
[M+CH3COO]- 308.09870 186.4
[M+Na-2H]- 270.05952 153.3
[M]+ 249.08430 148.5
[M]- 249.08540 148.5
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.