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]+ 191.06626 135.3
[M+Na]+ 213.04820 143.0
[M+NH4]+ 208.09280 142.6
[M+K]+ 229.02214 147.1
[M-H]- 189.05170 139.1
[M+Na-2H]- 211.03365 135.3
[M]+ 190.05843 136.9
[M]- 190.05953 136.9
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

patents stripe