CID 215328

Urea, 1-(2-hydroxyethyl)-3-nitro-, nitrate

Structural Information

Molecular Formula
C3H6N4O6
SMILES
C(CO[N+](=O)[O-])NC(=O)N[N+](=O)[O-]
InChI
InChI=1S/C3H6N4O6/c8-3(5-6(9)10)4-1-2-13-7(11)12/h1-2H2,(H2,4,5,8)
InChIKey
BFGCTTNIBFQFKS-UHFFFAOYSA-N
Compound name
2-(nitrocarbamoylamino)ethyl nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.02873 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03601 132.1
[M+Na]+ 217.01795 136.4
[M-H]- 193.02145 186.7
[M+NH4]+ 212.06255 185.8
[M+K]+ 232.99189 129.7
[M+H-H2O]+ 177.02599 134.8
[M+HCOO]- 239.02693 195.8
[M+CH3COO]- 253.04258 173.6
[M+Na-2H]- 215.00340 142.2
[M]+ 194.02818 173.4
[M]- 194.02928 173.4
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.