CID 155316392

3-[7-(aminomethyl)-1-oxo-2,3-dihydro-1h-isoindol-2-yl]piperidine-2,6-dione hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 162.1
[M+Na]+ 296.10055 169.8
[M-H]- 272.10405 165.3
[M+NH4]+ 291.14515 177.3
[M+K]+ 312.07449 164.5
[M+H-H2O]+ 256.10859 154.3
[M+HCOO]- 318.10953 178.6
[M+CH3COO]- 332.12518 198.4
[M+Na-2H]- 294.08600 162.2
[M]+ 273.11078 156.8
[M]- 273.11188 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