CID 468792

N-nonylamino-1-deoxylactitol

Structural Information

Molecular Formula
C21H43NO10
SMILES
CCCCCCCCCNCC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O
InChI
InChI=1S/C21H43NO10/c1-2-3-4-5-6-7-8-9-22-10-13(25)16(27)20(14(26)11-23)32-21-19(30)18(29)17(28)15(12-24)31-21/h13-30H,2-12H2,1H3
InChIKey
DNXATGVQIDKMAQ-UHFFFAOYSA-N
Compound name
6-(nonylamino)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.2887 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.29598 212.3
[M+Na]+ 492.27792 208.1
[M-H]- 468.28142 203.1
[M+NH4]+ 487.32252 211.5
[M+K]+ 508.25186 208.2
[M+H-H2O]+ 452.28596 204.5
[M+HCOO]- 514.28690 219.7
[M+CH3COO]- 528.30255 227.6
[M+Na-2H]- 490.26337 202.8
[M]+ 469.28815 210.9
[M]- 469.28925 210.9
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.