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]+ 247.12885 153.1
[M+Na]+ 269.11079 160.4
[M+NH4]+ 264.15539 160.1
[M+K]+ 285.08473 163.8
[M-H]- 245.11429 157.2
[M+Na-2H]- 267.09624 152.7
[M]+ 246.12102 154.8
[M]- 246.12212 154.8
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.