CID 178244128

N-propanoylmethanimine oxide

Structural Information

Molecular Formula
C4H7NO2
SMILES
CCC(=O)[N+](=C)[O-]
InChI
InChI=1S/C4H7NO2/c1-3-4(6)5(2)7/h2-3H2,1H3
InChIKey
AEAOXKDVIQLIGE-UHFFFAOYSA-N
Compound name
N-propanoylmethanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

101.047676 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.054952 117.5
[M+Na]+ 124.036894 125.2
[M-H]- 100.040400 118.4
[M+NH4]+ 119.081499 140.2
[M+K]+ 140.010834 121.6
[M+H-H2O]+ 84.044936 118.3
[M+HCOO]- 146.045877 142.6
[M+CH3COO]- 160.061527 161.3
[M+Na-2H]- 122.022342 125.1
[M]+ 101.04712742 115.7
[M]- 101.04822458 115.7
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.