CID 101924014

D-fructosylglycine betaine

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]+ 238.09213 148.4
[M+Na]+ 260.07407 153.2
[M-H]- 236.07757 145.8
[M+NH4]+ 255.11867 162.8
[M+K]+ 276.04801 152.9
[M+H-H2O]+ 220.08211 144.0
[M+HCOO]- 282.08305 161.8
[M+CH3COO]- 296.09870 181.7
[M+Na-2H]- 258.05952 151.6
[M]+ 237.08430 144.8
[M]- 237.08540 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.