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 135.6
[M+Na]+ 213.04820 141.3
[M-H]- 189.05170 140.7
[M+NH4]+ 208.09280 155.3
[M+K]+ 229.02214 139.2
[M+H-H2O]+ 173.05624 135.9
[M+HCOO]- 235.05718 158.0
[M+CH3COO]- 249.07283 175.6
[M+Na-2H]- 211.03365 142.9
[M]+ 190.05843 133.5
[M]- 190.05953 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