CID 129754764

Azetine n-oxide

Structural Information

Molecular Formula
C3H5NO
SMILES
C1C[N+](=C1)[O-]
InChI
InChI=1S/C3H5NO/c5-4-2-1-3-4/h2H,1,3H2
InChIKey
UYFBZBHGQZXGJT-UHFFFAOYSA-N
Compound name
1-oxido-2,3-dihydroazet-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

71.03712 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.044396 103.7
[M+Na]+ 94.026338 111.4
[M-H]- 70.029844 105.3
[M+NH4]+ 89.070943 119.6
[M+K]+ 110.000278 110.1
[M+H-H2O]+ 54.034380 98.8
[M+HCOO]- 116.035321 126.6
[M+CH3COO]- 130.050971 155.1
[M+Na-2H]- 92.011786 114.8
[M]+ 71.03657142 109.6
[M]- 71.03766858 109.6
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