CID 102229194

Chebi:228155

Structural Information

Molecular Formula
C12H23NO7
SMILES
CC(C)C[C@@H](C(=O)O)NC[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O
InChI
InChI=1S/C12H23NO7/c1-6(2)3-7(11(17)18)13-5-12(19)10(16)9(15)8(14)4-20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18)/t7-,8+,9+,10-,12+/m0/s1
InChIKey
ZVFBUGZJZNDPOS-TYCYOEEFSA-N
Compound name
(2S)-4-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14746 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15474 166.1
[M+Na]+ 316.13668 169.7
[M+NH4]+ 311.18128 169.7
[M+K]+ 332.11062 169.0
[M-H]- 292.14018 163.1
[M+Na-2H]- 314.12213 164.3
[M]+ 293.14691 165.0
[M]- 293.14801 165.0
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.