CID 157009982

1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1=COC(=O)C1N2C(=CC=C2O)CO
InChI
InChI=1S/C9H9NO4/c11-5-6-1-2-8(12)10(6)7-3-4-14-9(7)13/h1-4,7,11-12H,5H2
InChIKey
XUVJDFTVUZWJIR-UHFFFAOYSA-N
Compound name
3-[2-hydroxy-5-(hydroxymethyl)pyrrol-1-yl]-3H-furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05316 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 139.5
[M+Na]+ 218.04238 149.8
[M+NH4]+ 213.08698 146.1
[M+K]+ 234.01632 150.0
[M-H]- 194.04588 141.0
[M+Na-2H]- 216.02783 143.1
[M]+ 195.05261 141.0
[M]- 195.05371 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.