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

87
Patents

216.12627 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 149.6
[M+Na]+ 239.11549 155.5
[M-H]- 215.11899 152.3
[M+NH4]+ 234.16009 167.1
[M+K]+ 255.08943 150.8
[M+H-H2O]+ 199.12353 141.4
[M+HCOO]- 261.12447 165.4
[M+CH3COO]- 275.14012 160.3
[M+Na-2H]- 237.10094 152.4
[M]+ 216.12572 142.7
[M]- 216.12682 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