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 156.7
[M+Na]+ 281.11080 159.3
[M-H]- 257.11430 162.8
[M+NH4]+ 276.15540 172.3
[M+K]+ 297.08474 156.5
[M+H-H2O]+ 241.11884 155.1
[M+HCOO]- 303.11978 173.0
[M+CH3COO]- 317.13543 186.3
[M+Na-2H]- 279.09625 160.5
[M]+ 258.12103 151.8
[M]- 258.12213 151.8
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.