CID 178244296

N-(2-methylprop-2-enoyl)methanimine oxide

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC(=C)C(=O)[N+](=C)[O-]
InChI
InChI=1S/C5H7NO2/c1-4(2)5(7)6(3)8/h1,3H2,2H3
InChIKey
UBFBJDNHXLTDBJ-UHFFFAOYSA-N
Compound name
N-(2-methylprop-2-enoyl)methanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.047676 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 120.4
[M+Na]+ 136.036894 127.7
[M-H]- 112.040400 121.2
[M+NH4]+ 131.081499 142.4
[M+K]+ 152.010834 123.7
[M+H-H2O]+ 96.044936 121.2
[M+HCOO]- 158.045877 144.4
[M+CH3COO]- 172.061527 164.0
[M+Na-2H]- 134.022342 126.3
[M]+ 113.04712742 117.6
[M]- 113.04822458 117.6
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.