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]+ 241.133546 155.7
[M+Na]+ 263.115488 163.0
[M-H]- 239.118994 160.3
[M+NH4]+ 258.160093 173.1
[M+K]+ 279.089428 158.8
[M+H-H2O]+ 223.123530 147.0
[M+HCOO]- 285.124471 174.2
[M+CH3COO]- 299.140121 167.3
[M+Na-2H]- 261.100936 158.7
[M]+ 240.12572142 153.5
[M]- 240.12681858 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.