CID 6852034

Ethylnitronate ylide

Structural Information

Molecular Formula
C2H5NO2
SMILES
C/C=[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

35
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

No patent data available for this compound.