CID 141185769

1-oxido-3,4-dihydropyrrol-1-ium-2-one

Structural Information

Molecular Formula
C4H5NO2
SMILES
C1CC(=O)[N+](=C1)[O-]
InChI
InChI=1S/C4H5NO2/c6-4-2-1-3-5(4)7/h3H,1-2H2
InChIKey
DIXNWXKHVGMLSO-UHFFFAOYSA-N
Compound name
1-oxido-3,4-dihydropyrrol-1-ium-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

99.03203 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.039306 115.9
[M+Na]+ 122.021248 125.0
[M-H]- 98.024754 117.4
[M+NH4]+ 117.065853 138.7
[M+K]+ 137.995188 120.0
[M+H-H2O]+ 82.029290 115.8
[M+HCOO]- 144.030231 139.8
[M+CH3COO]- 158.045881 153.7
[M+Na-2H]- 120.006696 124.2
[M]+ 99.03148142 112.6
[M]- 99.03257858 112.6
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.