CID 3067634

81786-32-5

Structural Information

Molecular Formula
C10H16N2O5
SMILES
C1CCN(C1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-]
InChI
InChI=1S/C10H16N2O5/c13-12(14)17-8-6-16-9-7(5-15-10(8)9)11-3-1-2-4-11/h7-10H,1-6H2/t7-,8-,9+,10+/m0/s1
InChIKey
ZJBICAIHKISXDJ-AXTSPUMRSA-N
Compound name
[(3S,3aR,6S,6aS)-3-pyrrolidin-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

244.10593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11321 154.0
[M+Na]+ 267.09515 157.7
[M-H]- 243.09865 160.9
[M+NH4]+ 262.13975 171.9
[M+K]+ 283.06909 155.5
[M+H-H2O]+ 227.10319 153.7
[M+HCOO]- 289.10413 172.7
[M+CH3COO]- 303.11978 183.6
[M+Na-2H]- 265.08060 157.1
[M]+ 244.10538 150.9
[M]- 244.10648 150.9
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.