CID 178244168

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

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC1CC=[N+](C1=O)[O-]
InChI
InChI=1S/C5H7NO2/c1-4-2-3-6(8)5(4)7/h3-4H,2H2,1H3
InChIKey
GUKNLUBXRMCCBJ-UHFFFAOYSA-N
Compound name
3-methyl-1-oxido-3,4-dihydropyrrol-1-ium-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.047676 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 119.9
[M+Na]+ 136.036894 129.5
[M-H]- 112.040400 121.6
[M+NH4]+ 131.081499 142.5
[M+K]+ 152.010834 124.1
[M+H-H2O]+ 96.044936 119.9
[M+HCOO]- 158.045877 143.5
[M+CH3COO]- 172.061527 157.8
[M+Na-2H]- 134.022342 127.1
[M]+ 113.04712742 117.3
[M]- 113.04822458 117.3
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.