CID 43960

Brn 1810575

Structural Information

Molecular Formula
C6H8N6O12
SMILES
C(CO[N+](=O)[O-])N(C(=O)C(=O)N(CCO[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H8N6O12/c13-5(7(9(15)16)1-3-23-11(19)20)6(14)8(10(17)18)2-4-24-12(21)22/h1-4H2
InChIKey
ISWFDIUPNLGKML-UHFFFAOYSA-N
Compound name
2-[nitro-[2-[nitro(2-nitrooxyethyl)amino]-2-oxoacetyl]amino]ethyl nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.02002 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.02730 205.2
[M+Na]+ 379.00924 212.2
[M-H]- 355.01274 218.4
[M+NH4]+ 374.05384 220.5
[M+K]+ 394.98318 210.5
[M+H-H2O]+ 339.01728 182.6
[M+HCOO]- 401.01822 208.3
[M+CH3COO]- 415.03387 198.1
[M+Na-2H]- 376.99469 203.4
[M]+ 356.01947 191.5
[M]- 356.02057 191.5
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.