CID 145874700

2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1h-isoindol-4-yl]acetic acid

Structural Information

Molecular Formula
C15H14N2O5
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C=CC=C3C2=O)CC(=O)O
InChI
InChI=1S/C15H14N2O5/c18-12-5-4-11(14(21)16-12)17-7-10-8(6-13(19)20)2-1-3-9(10)15(17)22/h1-3,11H,4-7H2,(H,19,20)(H,16,18,21)
InChIKey
NAGHVTSOYVXAPJ-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

302.09027 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.097546 166.7
[M+Na]+ 325.079488 173.9
[M-H]- 301.082994 169.0
[M+NH4]+ 320.124093 180.2
[M+K]+ 341.053428 169.3
[M+H-H2O]+ 285.087530 159.4
[M+HCOO]- 347.088471 180.4
[M+CH3COO]- 361.104121 199.2
[M+Na-2H]- 323.064936 165.6
[M]+ 302.08972142 163.2
[M]- 302.09081858 163.2
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