CID 169492807

Chebi:228169

Structural Information

Molecular Formula
C12H23NO7
SMILES
C1[C@H]([C@H]([C@@H]([C@](O1)(CNCCCCCC(=O)O)O)O)O)O
InChI
InChI=1S/C12H23NO7/c14-8-6-20-12(19,11(18)10(8)17)7-13-5-3-1-2-4-9(15)16/h8,10-11,13-14,17-19H,1-7H2,(H,15,16)/t8-,10-,11+,12-/m1/s1
InChIKey
NEDUACVLBFTKTH-KXGXSXBTSA-N
Compound name
6-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14746 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15474 165.7
[M+Na]+ 316.13668 168.7
[M-H]- 292.14018 162.2
[M+NH4]+ 311.18128 177.8
[M+K]+ 332.11062 167.6
[M+H-H2O]+ 276.14472 160.6
[M+HCOO]- 338.14566 177.8
[M+CH3COO]- 352.16131 193.6
[M+Na-2H]- 314.12213 166.9
[M]+ 293.14691 163.4
[M]- 293.14801 163.4
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.