CID 3067638

1,4:3,6-dianhydro-2-deoxy-2-(4-morpholinyl)-l-iditol 5-nitrate monohydrochloride

Structural Information

Molecular Formula
C10H16N2O6
SMILES
C1COCCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-]
InChI
InChI=1S/C10H16N2O6/c13-12(14)18-8-6-17-9-7(5-16-10(8)9)11-1-3-15-4-2-11/h7-10H,1-6H2/t7-,8-,9+,10+/m0/s1
InChIKey
ANCVGZZUPPXBQJ-AXTSPUMRSA-N
Compound name
[(3S,3aR,6S,6aS)-3-morpholin-4-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10083 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10811 153.9
[M+Na]+ 283.09005 162.1
[M+NH4]+ 278.13465 160.7
[M+K]+ 299.06399 166.0
[M-H]- 259.09355 159.7
[M+Na-2H]- 281.07550 153.6
[M]+ 260.10028 156.2
[M]- 260.10138 156.2
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.