CID 146075398

1392277-06-3

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

6
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 151.0
[M+Na]+ 254.04238 162.3
[M-H]- 230.04588 158.5
[M+NH4]+ 249.08698 165.6
[M+K]+ 270.01632 158.1
[M+H-H2O]+ 214.05042 144.6
[M+HCOO]- 276.05136 172.7
[M+CH3COO]- 290.06701 191.7
[M+Na-2H]- 252.02783 154.1
[M]+ 231.05261 155.7
[M]- 231.05371 155.7
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