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

227
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

literature stripe

Patent stripe

patents stripe