CID 199653

4667-76-9

Structural Information

Molecular Formula
C14H16N2O2
SMILES
C1CCN(CC1)CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H16N2O2/c17-13-11-6-2-3-7-12(11)14(18)16(13)10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2
InChIKey
ORXFTDOQEHBVCY-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylmethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

244.12119 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 155.8
[M+Na]+ 267.11041 162.8
[M-H]- 243.11391 160.1
[M+NH4]+ 262.15501 173.1
[M+K]+ 283.08435 158.7
[M+H-H2O]+ 227.11845 147.3
[M+HCOO]- 289.11939 173.1
[M+CH3COO]- 303.13504 167.1
[M+Na-2H]- 265.09586 157.9
[M]+ 244.12064 152.3
[M]- 244.12174 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe