CID 26524

Methylenedinitramine

Structural Information

Molecular Formula
CH4N4O4
SMILES
C(N[N+](=O)[O-])N[N+](=O)[O-]
InChI
InChI=1S/CH4N4O4/c6-4(7)2-1-3-5(8)9/h2-3H,1H2
InChIKey
HSMJRIUFXFAZSY-UHFFFAOYSA-N
Compound name
N-(nitramidomethyl)nitramide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

295
Patents

136.02325 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03053 118.5
[M+Na]+ 159.01247 123.9
[M-H]- 135.01597 119.2
[M+NH4]+ 154.05707 137.1
[M+K]+ 174.98641 116.9
[M+H-H2O]+ 119.02051 122.0
[M+HCOO]- 181.02145 147.3
[M+CH3COO]- 195.03710 165.4
[M+Na-2H]- 156.99792 130.3
[M]+ 136.02270 113.7
[M]- 136.02380 113.7
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.