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]+ 258.108446 159.3
[M+Na]+ 280.090388 166.4
[M-H]- 256.093894 159.5
[M+NH4]+ 275.134993 171.7
[M+K]+ 296.064328 156.2
[M+H-H2O]+ 240.098430 160.6
[M+HCOO]- 302.099371 180.9
[M+CH3COO]- 316.115021 182.4
[M+Na-2H]- 278.075836 167.9
[M]+ 257.10062142 160.2
[M]- 257.10171858 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.