CID 36233

Brn 2422237

Structural Information

Molecular Formula
C6H9N5O10
SMILES
CCOC(=O)CN(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H9N5O10/c1-2-21-5(12)3-7(11(19)20)4-6(8(13)14,9(15)16)10(17)18/h2-4H2,1H3
InChIKey
OSFMFQOMNDJLIF-UHFFFAOYSA-N
Compound name
ethyl 2-[nitro(2,2,2-trinitroethyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.03494 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.04222 198.4
[M+Na]+ 334.02416 203.9
[M-H]- 310.02766 208.4
[M+NH4]+ 329.06876 210.5
[M+K]+ 349.99810 203.5
[M+H-H2O]+ 294.03220 172.9
[M+HCOO]- 356.03314 206.8
[M+CH3COO]- 370.04879 189.6
[M+Na-2H]- 332.00961 195.9
[M]+ 311.03439 186.7
[M]- 311.03549 186.7
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

No patent data available for this compound.