CID 146410371

2412056-27-8

Structural Information

Molecular Formula
C15H13N3O6
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NCC(=O)O
InChI
InChI=1S/C15H13N3O6/c19-11-4-3-10(13(22)17-11)18-14(23)8-2-1-7(16-6-12(20)21)5-9(8)15(18)24/h1-2,5,10,16H,3-4,6H2,(H,20,21)(H,17,19,22)
InChIKey
ZATMCTCUKSYXHM-UHFFFAOYSA-N
Compound name
2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

331.08044 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.08772 170.9
[M+Na]+ 354.06966 177.9
[M-H]- 330.07316 173.5
[M+NH4]+ 349.11426 182.8
[M+K]+ 370.04360 173.7
[M+H-H2O]+ 314.07770 163.4
[M+HCOO]- 376.07864 185.9
[M+CH3COO]- 390.09429 207.8
[M+Na-2H]- 352.05511 170.1
[M]+ 331.07989 167.8
[M]- 331.08099 167.8
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