CID 26001

Aminoethyl nitrate

Structural Information

Molecular Formula
C2H6N2O3
SMILES
C(CO[N+](=O)[O-])N
InChI
InChI=1S/C2H6N2O3/c3-1-2-7-4(5)6/h1-3H2
InChIKey
KZTZJUQNSSLNAG-UHFFFAOYSA-N
Compound name
2-aminoethyl nitrate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

886
Patents

106.03784 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.04512 115.4
[M+Na]+ 129.02706 122.6
[M-H]- 105.03056 115.7
[M+NH4]+ 124.07166 137.0
[M+K]+ 145.00100 119.5
[M+H-H2O]+ 89.035100 115.4
[M+HCOO]- 151.03604 142.4
[M+CH3COO]- 165.05169 162.1
[M+Na-2H]- 127.01251 124.5
[M]+ 106.03729 113.7
[M]- 106.03839 113.7
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

patents stripe