CID 3067632

81786-31-4

Structural Information

Molecular Formula
C10H18N2O5
SMILES
CCN(CC)[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-]
InChI
InChI=1S/C10H18N2O5/c1-3-11(4-2)7-5-15-10-8(17-12(13)14)6-16-9(7)10/h7-10H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1
InChIKey
HALVGUGZULWQJS-AXTSPUMRSA-N
Compound name
[(3S,3aR,6S,6aS)-3-(diethylamino)-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

246.12157 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.128846 156.1
[M+Na]+ 269.110788 160.3
[M-H]- 245.114294 162.4
[M+NH4]+ 264.155393 174.5
[M+K]+ 285.084728 158.9
[M+H-H2O]+ 229.118830 155.7
[M+HCOO]- 291.119771 178.2
[M+CH3COO]- 305.135421 191.8
[M+Na-2H]- 267.096236 161.4
[M]+ 246.12102142 157.4
[M]- 246.12211858 157.4
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.