CID 178244297

4-ethylidene-1-oxido-3h-pyrrol-1-ium-5-one

Structural Information

Molecular Formula
C6H7NO2
SMILES
CC=C1CC=[N+](C1=O)[O-]
InChI
InChI=1S/C6H7NO2/c1-2-5-3-4-7(9)6(5)8/h2,4H,3H2,1H3
InChIKey
UCOSGKDBVQTBQQ-UHFFFAOYSA-N
Compound name
4-ethylidene-1-oxido-3H-pyrrol-1-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.047676 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 123.8
[M+Na]+ 148.036894 133.4
[M-H]- 124.040400 125.4
[M+NH4]+ 143.081499 145.9
[M+K]+ 164.010834 127.2
[M+H-H2O]+ 108.044936 123.8
[M+HCOO]- 170.045877 147.3
[M+CH3COO]- 184.061527 159.1
[M+Na-2H]- 146.022342 130.5
[M]+ 125.04712742 120.8
[M]- 125.04822458 120.8
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.