CID 169492780

D-fructosyl-l-alanine betaine

Structural Information

Molecular Formula
C9H17NO7
SMILES
C[C@@H](C(=O)O)NC[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O
InChI
InChI=1S/C9H17NO7/c1-4(8(14)15)10-3-9(16)7(13)6(12)5(11)2-17-9/h4-7,10-13,16H,2-3H2,1H3,(H,14,15)/t4-,5+,6+,7-,9+/m0/s1
InChIKey
UEKCFAIUNCFLEA-SDBNBOCMSA-N
Compound name
(2S)-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1005 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10778 153.2
[M+Na]+ 274.08972 157.4
[M-H]- 250.09322 150.5
[M+NH4]+ 269.13432 167.0
[M+K]+ 290.06366 157.5
[M+H-H2O]+ 234.09776 148.9
[M+HCOO]- 296.09870 165.3
[M+CH3COO]- 310.11435 185.7
[M+Na-2H]- 272.07517 154.6
[M]+ 251.09995 149.3
[M]- 251.10105 149.3
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.