CID 194053

N-nitroethylenediamine

Structural Information

Molecular Formula
C2H7N3O2
SMILES
C(CN[N+](=O)[O-])N
InChI
InChI=1S/C2H7N3O2/c3-1-2-4-5(6)7/h4H,1-3H2
InChIKey
ITPVQLRLLYSOCJ-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

105.053825 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.06110 114.8
[M+Na]+ 128.04304 121.1
[M-H]- 104.04655 115.0
[M+NH4]+ 123.08765 136.1
[M+K]+ 144.01698 117.6
[M+H-H2O]+ 88.051085 114.4
[M+HCOO]- 150.05203 142.5
[M+CH3COO]- 164.06768 164.8
[M+Na-2H]- 126.02849 124.2
[M]+ 105.05328 110.9
[M]- 105.05437 110.9
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

patents stripe