CID 3067627

81786-21-2

Structural Information

Molecular Formula
C6H10N2O5
SMILES
C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])N
InChI
InChI=1S/C6H10N2O5/c7-3-1-11-6-4(13-8(9)10)2-12-5(3)6/h3-6H,1-2,7H2/t3-,4-,5+,6+/m0/s1
InChIKey
IOSFCUSLSLNFJT-UNTFVMJOSA-N
Compound name
[(3S,3aR,6S,6aS)-3-amino-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

2
Patents

190.05898 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.066256 135.6
[M+Na]+ 213.048198 141.3
[M-H]- 189.051704 140.7
[M+NH4]+ 208.092803 155.3
[M+K]+ 229.022138 139.2
[M+H-H2O]+ 173.056240 135.9
[M+HCOO]- 235.057181 158.0
[M+CH3COO]- 249.072831 175.6
[M+Na-2H]- 211.033646 142.9
[M]+ 190.05843142 133.5
[M]- 190.05952858 133.5
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

patents stripe