CID 605955

1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CN1C(C(CC1=O)C(=O)O)C2=CN=CC=C2
InChI
InChI=1S/C11H12N2O3/c1-13-9(14)5-8(11(15)16)10(13)7-3-2-4-12-6-7/h2-4,6,8,10H,5H2,1H3,(H,15,16)
InChIKey
DEYLVDCFTICBTB-UHFFFAOYSA-N
Compound name
1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

263
Patents

220.0848 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 148.6
[M+Na]+ 243.07402 159.7
[M+NH4]+ 238.11862 154.9
[M+K]+ 259.04796 157.0
[M-H]- 219.07752 149.2
[M+Na-2H]- 241.05947 153.2
[M]+ 220.08425 149.9
[M]- 220.08535 149.9
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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