CID 43558255

6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1CCN(C1)C(=O)C2=NC(=CC=C2)C(=O)O
InChI
InChI=1S/C11H12N2O3/c14-10(13-6-1-2-7-13)8-4-3-5-9(12-8)11(15)16/h3-5H,1-2,6-7H2,(H,15,16)
InChIKey
VHRINNVKMJWRHB-UHFFFAOYSA-N
Compound name
6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.0848 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 147.7
[M+Na]+ 243.07402 153.8
[M-H]- 219.07752 150.3
[M+NH4]+ 238.11862 163.9
[M+K]+ 259.04796 151.6
[M+H-H2O]+ 203.08206 139.8
[M+HCOO]- 265.08300 165.9
[M+CH3COO]- 279.09865 183.1
[M+Na-2H]- 241.05947 149.3
[M]+ 220.08425 144.8
[M]- 220.08535 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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