CID 11831747

153646-24-3

Structural Information

Molecular Formula
C12H9NO5
SMILES
COC(=O)C(=O)CN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C12H9NO5/c1-18-12(17)9(14)6-13-10(15)7-4-2-3-5-8(7)11(13)16/h2-5H,6H2,1H3
InChIKey
CRFRUUGFDCLUOV-UHFFFAOYSA-N
Compound name
methyl 3-(1,3-dioxoisoindol-2-yl)-2-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

247.04807 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05535 149.0
[M+Na]+ 270.03729 158.4
[M-H]- 246.04079 152.8
[M+NH4]+ 265.08189 167.8
[M+K]+ 286.01123 156.6
[M+H-H2O]+ 230.04533 143.0
[M+HCOO]- 292.04627 170.3
[M+CH3COO]- 306.06192 192.4
[M+Na-2H]- 268.02274 151.4
[M]+ 247.04752 152.9
[M]- 247.04862 152.9
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