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

25
Patents

274.09537 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10265 161.3
[M+Na]+ 297.08459 169.3
[M-H]- 273.08809 163.7
[M+NH4]+ 292.12919 176.3
[M+K]+ 313.05853 164.2
[M+H-H2O]+ 257.09263 154.0
[M+HCOO]- 319.09357 176.1
[M+CH3COO]- 333.10922 193.7
[M+Na-2H]- 295.07004 161.5
[M]+ 274.09482 157.3
[M]- 274.09592 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