CID 6410504

Pyridazine, 3,6-dipropoxy-4-nitro-, 1-oxide

Structural Information

Molecular Formula
C10H15N3O5
SMILES
CCCOC1=[N+](N=C(C(=C1)[N+](=O)[O-])OCCC)[O-]
InChI
InChI=1S/C10H15N3O5/c1-3-5-17-9-7-8(13(15)16)10(11-12(9)14)18-6-4-2/h7H,3-6H2,1-2H3
InChIKey
CIXMKWYAJCQIMJ-UHFFFAOYSA-N
Compound name
4-nitro-1-oxido-3,6-dipropoxypyridazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.10117 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10845 159.3
[M+Na]+ 280.09039 166.4
[M-H]- 256.09389 159.5
[M+NH4]+ 275.13499 171.7
[M+K]+ 296.06433 156.2
[M+H-H2O]+ 240.09843 160.6
[M+HCOO]- 302.09937 180.9
[M+CH3COO]- 316.11502 182.4
[M+Na-2H]- 278.07584 167.9
[M]+ 257.10062 160.2
[M]- 257.10172 160.2
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.