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 146.5
[M+Na]+ 231.07402 152.3
[M-H]- 207.07752 148.0
[M+NH4]+ 226.11862 164.2
[M+K]+ 247.04796 150.0
[M+H-H2O]+ 191.08206 139.4
[M+HCOO]- 253.08300 164.2
[M+CH3COO]- 267.09865 178.0
[M+Na-2H]- 229.05947 145.6
[M]+ 208.08425 142.1
[M]- 208.08535 142.1
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.