CID 20150

Diethanolnitramine dinitrate

Structural Information

Molecular Formula
C4H8N4O8
SMILES
C(CO[N+](=O)[O-])N(CCO[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C4H8N4O8/c9-6(10)5(1-3-15-7(11)12)2-4-16-8(13)14/h1-4H2
InChIKey
NZDNCDGEHXHPCO-UHFFFAOYSA-N
Compound name
2-[nitro(2-nitrooxyethyl)amino]ethyl nitrate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

47
Patents

240.03421 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04149 186.7
[M+Na]+ 263.02343 194.4
[M-H]- 239.02693 191.6
[M+NH4]+ 258.06803 195.1
[M+K]+ 278.99737 188.9
[M+H-H2O]+ 223.03147 167.6
[M+HCOO]- 285.03241 200.2
[M+CH3COO]- 299.04806 181.4
[M+Na-2H]- 261.00888 183.2
[M]+ 240.03366 177.7
[M]- 240.03476 177.7
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