CID 134589517

2229976-18-3

Structural Information

Molecular Formula
C16H16N2O5
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C=CC=C3C2=O)CCC(=O)O
InChI
InChI=1S/C16H16N2O5/c19-13-6-5-12(15(22)17-13)18-8-11-9(4-7-14(20)21)2-1-3-10(11)16(18)23/h1-3,12H,4-8H2,(H,20,21)(H,17,19,22)
InChIKey
HCRHUBHUCKNBOP-UHFFFAOYSA-N
Compound name
3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

316.10593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11321 171.2
[M+Na]+ 339.09515 177.9
[M-H]- 315.09865 173.3
[M+NH4]+ 334.13975 184.1
[M+K]+ 355.06909 173.1
[M+H-H2O]+ 299.10319 163.6
[M+HCOO]- 361.10413 184.5
[M+CH3COO]- 375.11978 202.2
[M+Na-2H]- 337.08060 169.5
[M]+ 316.10538 167.9
[M]- 316.10648 167.9
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