CID 24188131

89711-70-6

Structural Information

Molecular Formula
C5H10N10O4
SMILES
C/C(=N\N=C(/N)\N[N+](=O)[O-])/C=N/N=C(\N)/N[N+](=O)[O-]
InChI
InChI=1S/C5H10N10O4/c1-3(9-11-5(7)13-15(18)19)2-8-10-4(6)12-14(16)17/h2H,1H3,(H3,6,10,12)(H3,7,11,13)/b8-2+,9-3+
InChIKey
YRFFDTWGECCZDP-CPJVMOPCSA-N
Compound name
2-[(E)-[(1E)-1-[(E)-[amino(nitramido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-1-nitroguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08865 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09593 235.0
[M+Na]+ 297.07787 255.3
[M-H]- 273.08137 253.5
[M+NH4]+ 292.12247 241.2
[M+K]+ 313.05181 239.9
[M+H-H2O]+ 257.08591 218.4
[M+HCOO]- 319.08685 238.7
[M+CH3COO]- 333.10250 209.1
[M+Na-2H]- 295.06332 229.7
[M]+ 274.08810 213.8
[M]- 274.08920 213.8
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.