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

43
Patents

273.11133 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.118606 162.1
[M+Na]+ 296.100548 169.8
[M-H]- 272.104054 165.3
[M+NH4]+ 291.145153 177.3
[M+K]+ 312.074488 164.5
[M+H-H2O]+ 256.108590 154.3
[M+HCOO]- 318.109531 178.6
[M+CH3COO]- 332.125181 198.4
[M+Na-2H]- 294.085996 162.2
[M]+ 273.11078142 156.8
[M]- 273.11187858 156.8
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