CID 10104227

Chembl2106512

Structural Information

Molecular Formula
C7H8N2O5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=[N+](\CCO)/[O-]
InChI
InChI=1S/C7H8N2O5/c10-4-3-8(11)5-6-1-2-7(14-6)9(12)13/h1-2,5,10H,3-4H2/b8-5+
InChIKey
QSWZUVFMUIEHAG-VMPITWQZSA-N
Compound name
N-(2-hydroxyethyl)-1-(5-nitrofuran-2-yl)methanimine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

1250
Patents

200.04332 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05060 143.8
[M+Na]+ 223.03254 149.5
[M-H]- 199.03604 146.8
[M+NH4]+ 218.07714 160.3
[M+K]+ 239.00648 140.8
[M+H-H2O]+ 183.04058 147.1
[M+HCOO]- 245.04152 168.7
[M+CH3COO]- 259.05717 169.4
[M+Na-2H]- 221.01799 152.6
[M]+ 200.04277 141.1
[M]- 200.04387 141.1
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.