CID 58596

2-(n-nitro-n-(2,2,2-trinitroethyl)amino)acetamide

Structural Information

Molecular Formula
C4H6N6O9
SMILES
C(C(=O)N)N(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C4H6N6O9/c5-3(11)1-6(10(18)19)2-4(7(12)13,8(14)15)9(16)17/h1-2H2,(H2,5,11)
InChIKey
UEJZYOJWLYRVNK-UHFFFAOYSA-N
Compound name
2-[nitro(2,2,2-trinitroethyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.01962 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.02690 203.9
[M+Na]+ 305.00884 210.5
[M-H]- 281.01234 214.6
[M+NH4]+ 300.05344 213.6
[M+K]+ 320.98278 208.1
[M+H-H2O]+ 265.01688 177.0
[M+HCOO]- 327.01782 210.8
[M+CH3COO]- 341.03347 186.3
[M+Na-2H]- 302.99429 200.7
[M]+ 282.01907 189.6
[M]- 282.02017 189.6
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.