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

8
Patents

302.09027 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09755 166.7
[M+Na]+ 325.07949 173.9
[M-H]- 301.08299 169.0
[M+NH4]+ 320.12409 180.2
[M+K]+ 341.05343 169.3
[M+H-H2O]+ 285.08753 159.4
[M+HCOO]- 347.08847 180.4
[M+CH3COO]- 361.10412 199.2
[M+Na-2H]- 323.06494 165.6
[M]+ 302.08972 163.2
[M]- 302.09082 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