CID 101924014

60644-20-4

Structural Information

Molecular Formula
C8H15NO7
SMILES
C1[C@H]([C@H]([C@@H]([C@](O1)(CNCC(=O)O)O)O)O)O
InChI
InChI=1S/C8H15NO7/c10-4-2-16-8(15,7(14)6(4)13)3-9-1-5(11)12/h4,6-7,9-10,13-15H,1-3H2,(H,11,12)/t4-,6-,7+,8-/m1/s1
InChIKey
BVWXBDYZZFSXIL-CCXZUQQUSA-N
Compound name
2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.08485 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.092126 148.4
[M+Na]+ 260.074068 153.2
[M-H]- 236.077574 145.8
[M+NH4]+ 255.118673 162.8
[M+K]+ 276.048008 152.9
[M+H-H2O]+ 220.082110 144.0
[M+HCOO]- 282.083051 161.8
[M+CH3COO]- 296.098701 181.7
[M+Na-2H]- 258.059516 151.6
[M]+ 237.08430142 144.8
[M]- 237.08539858 144.8
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.