CID 169492782

Chebi:228142

Structural Information

Molecular Formula
C8H13NO7
SMILES
C1[C@H]([C@H]([C@@H]([C@](O1)(C=NCC(=O)O)O)O)O)O
InChI
InChI=1S/C8H13NO7/c10-4-2-16-8(15,7(14)6(4)13)3-9-1-5(11)12/h3-4,6-7,10,13-15H,1-2H2,(H,11,12)/t4-,6-,7+,8-/m1/s1
InChIKey
OBHNPWQOGQBFQX-CCXZUQQUSA-N
Compound name
2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylideneamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.0692 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07648 146.6
[M+Na]+ 258.05842 152.2
[M-H]- 234.06192 145.4
[M+NH4]+ 253.10302 161.8
[M+K]+ 274.03236 152.1
[M+H-H2O]+ 218.06646 142.2
[M+HCOO]- 280.06740 161.8
[M+CH3COO]- 294.08305 182.3
[M+Na-2H]- 256.04387 150.3
[M]+ 235.06865 144.0
[M]- 235.06975 144.0
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.