CID 164584415

2803882-16-6

Structural Information

Molecular Formula
C14H14N2O4
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)CO
InChI
InChI=1S/C14H14N2O4/c17-7-8-1-2-9-6-16(14(20)10(9)5-8)11-3-4-12(18)15-13(11)19/h1-2,5,11,17H,3-4,6-7H2,(H,15,18,19)
InChIKey
FHXJRFUBKKGFJA-UHFFFAOYSA-N
Compound name
3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

274.09537 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.102646 161.3
[M+Na]+ 297.084588 169.3
[M-H]- 273.088094 163.7
[M+NH4]+ 292.129193 176.3
[M+K]+ 313.058528 164.2
[M+H-H2O]+ 257.092630 154.0
[M+HCOO]- 319.093571 176.1
[M+CH3COO]- 333.109221 193.7
[M+Na-2H]- 295.070036 161.5
[M]+ 274.09482142 157.3
[M]- 274.09591858 157.3
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