CID 21933424

1,3-dioxoisoindolin-2-yl isobutyrate

Structural Information

Molecular Formula
C12H11NO4
SMILES
CC(C)C(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C12H11NO4/c1-7(2)12(16)17-13-10(14)8-5-3-4-6-9(8)11(13)15/h3-7H,1-2H3
InChIKey
RHRVSKAAIXMYLC-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

233.0688 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 149.6
[M+Na]+ 256.05802 160.4
[M+NH4]+ 251.10262 156.1
[M+K]+ 272.03196 158.0
[M-H]- 232.06152 149.1
[M+Na-2H]- 254.04347 152.3
[M]+ 233.06825 150.6
[M]- 233.06935 150.6
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

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