CID 176472528

2,5-dioxo-1-propylpyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C8H9NO4
SMILES
CCCN1C(=O)C=C(C1=O)C(=O)O
InChI
InChI=1S/C8H9NO4/c1-2-3-9-6(10)4-5(7(9)11)8(12)13/h4H,2-3H2,1H3,(H,12,13)
InChIKey
JCPLATVCZCNORH-UHFFFAOYSA-N
Compound name
2,5-dioxo-1-propylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05316 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.060436 134.6
[M+Na]+ 206.042378 144.0
[M-H]- 182.045884 136.2
[M+NH4]+ 201.086983 154.6
[M+K]+ 222.016318 142.5
[M+H-H2O]+ 166.050420 129.4
[M+HCOO]- 228.051361 156.4
[M+CH3COO]- 242.067011 178.7
[M+Na-2H]- 204.027826 136.6
[M]+ 183.05261142 136.2
[M]- 183.05370858 136.2
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.