CID 3067636

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

Structural Information

Molecular Formula
C11H18N2O5
SMILES
C1CCN(CC1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-]
InChI
InChI=1S/C11H18N2O5/c14-13(15)18-9-7-17-10-8(6-16-11(9)10)12-4-2-1-3-5-12/h8-11H,1-7H2/t8-,9-,10+,11+/m0/s1
InChIKey
OHRHLFJDZLCDSJ-UKKRHICBSA-N
Compound name
[(3S,3aR,6S,6aS)-3-piperidin-1-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

258.12158 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12886 155.2
[M+Na]+ 281.11080 163.3
[M+NH4]+ 276.15540 162.6
[M+K]+ 297.08474 166.2
[M-H]- 257.11430 160.2
[M+Na-2H]- 279.09625 155.6
[M]+ 258.12103 157.3
[M]- 258.12213 157.3
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.