CID 146075398

1,3-dioxoisoindolin-2-yl cyclopropanecarboxylate

Structural Information

Molecular Formula
C12H9NO4
SMILES
C1CC1C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C12H9NO4/c14-10-8-3-1-2-4-9(8)11(15)13(10)17-12(16)7-5-6-7/h1-4,7H,5-6H2
InChIKey
BDRFYZKZLYMXLC-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) cyclopropanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

231.05316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06044 152.1
[M+Na]+ 254.04238 165.1
[M+NH4]+ 249.08698 159.9
[M+K]+ 270.01632 162.9
[M-H]- 230.04588 160.3
[M+Na-2H]- 252.02783 158.8
[M]+ 231.05261 157.1
[M]- 231.05371 157.1
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