CID 10178

Nitramine

Structural Information

Molecular Formula
C7H5N5O8
SMILES
CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3
InChIKey
AGUIVNYEYSCPNI-UHFFFAOYSA-N
Compound name
N-methyl-N-(2,4,6-trinitrophenyl)nitramide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

147
References

6544
Patents

287.01382 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.02110 197.5
[M+Na]+ 310.00304 205.4
[M-H]- 286.00654 204.6
[M+NH4]+ 305.04764 206.9
[M+K]+ 325.97698 201.4
[M+H-H2O]+ 270.01108 173.8
[M+HCOO]- 332.01202 212.2
[M+CH3COO]- 346.02767 189.4
[M+Na-2H]- 307.98849 195.2
[M]+ 287.01327 185.6
[M]- 287.01437 185.6
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.