CID 3067636

81786-33-6

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]+ 259.128856 156.7
[M+Na]+ 281.110798 159.3
[M-H]- 257.114304 162.8
[M+NH4]+ 276.155403 172.3
[M+K]+ 297.084738 156.5
[M+H-H2O]+ 241.118840 155.1
[M+HCOO]- 303.119781 173.0
[M+CH3COO]- 317.135431 186.3
[M+Na-2H]- 279.096246 160.5
[M]+ 258.12103142 151.8
[M]- 258.12212858 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.