CID 3067630

81786-30-3

Structural Information

Molecular Formula
C8H14N2O5
SMILES
CN(C)[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-]
InChI
InChI=1S/C8H14N2O5/c1-9(2)5-3-13-8-6(15-10(11)12)4-14-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6-,7+,8+/m0/s1
InChIKey
SWDZUQIBGGENLW-RULNZFCNSA-N
Compound name
[(3S,3aR,6S,6aS)-3-(dimethylamino)-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

218.09027 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09755 146.2
[M+Na]+ 241.07949 151.2
[M-H]- 217.08299 152.9
[M+NH4]+ 236.12409 165.7
[M+K]+ 257.05343 150.3
[M+H-H2O]+ 201.08753 146.2
[M+HCOO]- 263.08847 169.0
[M+CH3COO]- 277.10412 185.8
[M+Na-2H]- 239.06494 152.6
[M]+ 218.08972 146.8
[M]- 218.09082 146.8
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.