CID 178244341

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

Structural Information

Molecular Formula
C6H9NO2
SMILES
CCC1CC=[N+](C1=O)[O-]
InChI
InChI=1S/C6H9NO2/c1-2-5-3-4-7(9)6(5)8/h4-5H,2-3H2,1H3
InChIKey
ZDUUGXGDIUTLDN-UHFFFAOYSA-N
Compound name
3-ethyl-1-oxido-3,4-dihydropyrrol-1-ium-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 124.8
[M+Na]+ 150.052548 134.0
[M-H]- 126.056054 126.3
[M+NH4]+ 145.097153 146.8
[M+K]+ 166.026488 128.3
[M+H-H2O]+ 110.060590 124.6
[M+HCOO]- 172.061531 148.0
[M+CH3COO]- 186.077181 160.9
[M+Na-2H]- 148.037996 131.4
[M]+ 127.06278142 122.5
[M]- 127.06387858 122.5
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.