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 163.7
[M+Na]+ 305.00884 168.2
[M+NH4]+ 300.05344 172.3
[M+K]+ 320.98278 178.8
[M-H]- 281.01234 161.2
[M+Na-2H]- 302.99429 161.9
[M]+ 282.01907 166.0
[M]- 282.02017 166.0
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.