CID 13537

Acetamide, n,n'-ethylenebis(n-nitro-

Structural Information

Molecular Formula
C6H10N4O6
SMILES
CC(=O)N(CCN(C(=O)C)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H10N4O6/c1-5(11)7(9(13)14)3-4-8(6(2)12)10(15)16/h3-4H2,1-2H3
InChIKey
QYYIAMKTNITMRW-UHFFFAOYSA-N
Compound name
N-[2-[acetyl(nitro)amino]ethyl]-N-nitroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06003 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06731 180.6
[M+Na]+ 257.04925 194.1
[M-H]- 233.05275 189.8
[M+NH4]+ 252.09385 193.2
[M+K]+ 273.02319 186.6
[M+H-H2O]+ 217.05729 170.0
[M+HCOO]- 279.05823 190.2
[M+CH3COO]- 293.07388 188.7
[M+Na-2H]- 255.03470 179.3
[M]+ 234.05948 174.1
[M]- 234.06058 174.1
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

patents stripe