CID 3082245

Ethylnitronate

Structural Information

Molecular Formula
C2H5NO2
SMILES
CC=[N+](O)[O-]
InChI
InChI=1S/C2H5NO2/c1-2-3(4)5/h2H,1H3,(H,4,5)
InChIKey
CPZLOQHKKRZRSD-UHFFFAOYSA-N
Compound name
N-hydroxyethanimine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

63
References

37
Patents

75.03203 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 76.039306 109.8
[M+Na]+ 98.021248 117.7
[M-H]- 74.024754 109.4
[M+NH4]+ 93.065853 132.8
[M+K]+ 113.99519 113.9
[M+H-H2O]+ 58.029290 111.0
[M+HCOO]- 120.03023 134.8
[M+CH3COO]- 134.04588 152.6
[M+Na-2H]- 96.006696 119.1
[M]+ 75.031481 106.6
[M]- 75.032579 106.6
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