CID 17804305

2-(pyrrolidin-1-yl)quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C14H14N2O2
SMILES
C1CCN(C1)C2=NC3=CC=CC=C3C=C2C(=O)O
InChI
InChI=1S/C14H14N2O2/c17-14(18)11-9-10-5-1-2-6-12(10)15-13(11)16-7-3-4-8-16/h1-2,5-6,9H,3-4,7-8H2,(H,17,18)
InChIKey
IPLRIFOYICTCRM-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

242.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.112806 154.0
[M+Na]+ 265.094748 161.2
[M-H]- 241.098254 157.5
[M+NH4]+ 260.139353 170.6
[M+K]+ 281.068688 156.9
[M+H-H2O]+ 225.102790 145.8
[M+HCOO]- 287.103731 171.6
[M+CH3COO]- 301.119381 165.3
[M+Na-2H]- 263.080196 157.4
[M]+ 242.10498142 151.3
[M]- 242.10607858 151.3
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

patents stripe