CID 9900574

Cps-11

Structural Information

Molecular Formula
C14H12N2O5
SMILES
C1CC(=O)N(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CO
InChI
InChI=1S/C14H12N2O5/c17-7-15-11(18)6-5-10(14(15)21)16-12(19)8-3-1-2-4-9(8)13(16)20/h1-4,10,17H,5-7H2
InChIKey
LZHQPJSJEITGHB-UHFFFAOYSA-N
Compound name
2-[1-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

46
Patents

288.07462 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08190 161.9
[M+Na]+ 311.06384 171.2
[M-H]- 287.06734 166.0
[M+NH4]+ 306.10844 177.0
[M+K]+ 327.03778 167.0
[M+H-H2O]+ 271.07188 154.5
[M+HCOO]- 333.07282 178.4
[M+CH3COO]- 347.08847 198.9
[M+Na-2H]- 309.04929 162.1
[M]+ 288.07407 160.8
[M]- 288.07517 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe