CID 15431961

2-(piperidin-4-yl)isoindolin-1-one

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CNCCC1N2CC3=CC=CC=C3C2=O
InChI
InChI=1S/C13H16N2O/c16-13-12-4-2-1-3-10(12)9-15(13)11-5-7-14-8-6-11/h1-4,11,14H,5-9H2
InChIKey
CIIHUTUQILHWCS-UHFFFAOYSA-N
Compound name
2-piperidin-4-yl-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

216.12627 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 149.6
[M+Na]+ 239.115488 155.5
[M-H]- 215.118994 152.3
[M+NH4]+ 234.160093 167.1
[M+K]+ 255.089428 150.8
[M+H-H2O]+ 199.123530 141.4
[M+HCOO]- 261.124471 165.4
[M+CH3COO]- 275.140121 160.3
[M+Na-2H]- 237.100936 152.4
[M]+ 216.12572142 142.7
[M]- 216.12681858 142.7
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