CID 464893

6,6'-bis(hydroxymethyl)-[?],[?]-spirobi[[?]]-4,4',5,5'-tetrol

Structural Information

Molecular Formula
C8H19N3O4
SMILES
C(CNC1C(C(C(C(O1)CO)O)O)N)N
InChI
InChI=1S/C8H19N3O4/c9-1-2-11-8-5(10)7(14)6(13)4(3-12)15-8/h4-8,11-14H,1-3,9-10H2
InChIKey
CPURZSBFDKDRSS-UHFFFAOYSA-N
Compound name
5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

221.13756 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14484 150.2
[M+Na]+ 244.12678 154.6
[M-H]- 220.13028 149.4
[M+NH4]+ 239.17138 164.1
[M+K]+ 260.10072 153.2
[M+H-H2O]+ 204.13482 143.9
[M+HCOO]- 266.13576 167.6
[M+CH3COO]- 280.15141 190.6
[M+Na-2H]- 242.11223 151.4
[M]+ 221.13701 143.6
[M]- 221.13811 143.6
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.