CID 118647025

2248702-12-5

Structural Information

Molecular Formula
C14H15N3O3
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)CN
InChI
InChI=1S/C14H15N3O3/c15-6-8-1-2-9-7-17(14(20)10(9)5-8)11-3-4-12(18)16-13(11)19/h1-2,5,11H,3-4,6-7,15H2,(H,16,18,19)
InChIKey
QZCGMGMBHRRQER-UHFFFAOYSA-N
Compound name
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

273.11133 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11861 162.7
[M+Na]+ 296.10055 172.7
[M+NH4]+ 291.14515 168.8
[M+K]+ 312.07449 169.5
[M-H]- 272.10405 164.1
[M+Na-2H]- 294.08600 165.1
[M]+ 273.11078 163.9
[M]- 273.11188 163.9
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