CID 102024496

Chebi:228146

Structural Information

Molecular Formula
C11H21NO7
SMILES
CC(C)[C@@H](C(=O)O)NC[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O
InChI
InChI=1S/C11H21NO7/c1-5(2)7(10(16)17)12-4-11(18)9(15)8(14)6(13)3-19-11/h5-9,12-15,18H,3-4H2,1-2H3,(H,16,17)/t6-,7+,8-,9+,11-/m1/s1
InChIKey
LXTJQOKOTMRERV-RKYHVTRTSA-N
Compound name
(2S)-3-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1318 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13908 162.2
[M+Na]+ 302.12102 165.3
[M-H]- 278.12452 159.1
[M+NH4]+ 297.16562 174.8
[M+K]+ 318.09496 165.7
[M+H-H2O]+ 262.12906 157.8
[M+HCOO]- 324.13000 172.7
[M+CH3COO]- 338.14565 192.8
[M+Na-2H]- 300.10647 161.4
[M]+ 279.13125 158.4
[M]- 279.13235 158.4
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.