CID 16227482

5-(pyrrolidine-1-carbonyl)-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C10H12N2O3
SMILES
C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)O
InChI
InChI=1S/C10H12N2O3/c13-9(12-3-1-2-4-12)8-5-7(6-11-8)10(14)15/h5-6,11H,1-4H2,(H,14,15)
InChIKey
CZULJFJPGZUPHO-UHFFFAOYSA-N
Compound name
5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 147.0
[M+Na]+ 231.07402 154.6
[M+NH4]+ 226.11862 152.6
[M+K]+ 247.04796 155.3
[M-H]- 207.07752 145.9
[M+Na-2H]- 229.05947 149.6
[M]+ 208.08425 147.1
[M]- 208.08535 147.1
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.