CID 379727

Nsc664701

Structural Information

Molecular Formula
C10H9N3O5
SMILES
C1CCOC2=C(C=C(C3=NON=C23)[N+](=O)[O-])OC1
InChI
InChI=1S/C10H9N3O5/c14-13(15)6-5-7-10(9-8(6)11-18-12-9)17-4-2-1-3-16-7/h5H,1-4H2
InChIKey
WIMLVTXEMBEACG-UHFFFAOYSA-N
Compound name
7-nitro-4,10,15-trioxa-3,5-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.05421 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06149 157.2
[M+Na]+ 274.04343 162.5
[M-H]- 250.04693 159.7
[M+NH4]+ 269.08803 163.2
[M+K]+ 290.01737 162.1
[M+H-H2O]+ 234.05147 154.8
[M+HCOO]- 296.05241 165.4
[M+CH3COO]- 310.06806 223.5
[M+Na-2H]- 272.02888 160.1
[M]+ 251.05366 157.8
[M]- 251.05476 157.8
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.