CID 102543343

1352507-34-6

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC(=O)N1CCCC1C2=CC3=CC=CC=C3N=C2
InChI
InChI=1S/C15H16N2O/c1-11(18)17-8-4-7-15(17)13-9-12-5-2-3-6-14(12)16-10-13/h2-3,5-6,9-10,15H,4,7-8H2,1H3
InChIKey
FWBBQYJGQHCVEZ-UHFFFAOYSA-N
Compound name
1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 155.7
[M+Na]+ 263.11549 163.0
[M-H]- 239.11899 160.3
[M+NH4]+ 258.16009 173.1
[M+K]+ 279.08943 158.8
[M+H-H2O]+ 223.12353 147.0
[M+HCOO]- 285.12447 174.2
[M+CH3COO]- 299.14012 167.3
[M+Na-2H]- 261.10094 158.7
[M]+ 240.12572 153.5
[M]- 240.12682 153.5
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.